BiopestPeptidV1, Main, Exploration, bibRecord, 000437

Flavopereirine-An Alkaloid Derived from Geissospermum vellosii-Presents Leishmanicidal Activity In Vitro.

Identifieur interne : 000437 ( Main/Exploration ); précédent : 000436; suivant : 000438

Flavopereirine-An Alkaloid Derived from Geissospermum vellosii-Presents Leishmanicidal Activity In Vitro.

Auteurs : João Victor Da Silva E Silva [Brésil] ; Heliton Patrick Cordovil Brigido [Brésil] ; Kelly Cristina Oliveira De Albuquerque [Brésil] ; Josiwander Miranda Carvalho [Brésil] ; Jordano Ferreira Reis [Brésil] ; Lara Vinhal Faria [Brésil] ; Márlia Coelho-Ferreira [Brésil] ; Fernando Tobias Silveira [Brésil] ; Agnaldo Da Silva Carneiro [Brésil] ; Sandro Percário [États-Unis, Brésil] ; Andrey Moacir Do Rosário Marinho [Brésil] ; Maria Fâni Dolabela [Brésil]

Source :

Molecules (Basel, Switzerland) [ 1420-3049 ] ; 2019.

RBID : pubmed:30795632

Descripteurs français

KwdFr :
- Alcaloïdes indoliques (classification), Alcaloïdes indoliques (composition chimique), Alcaloïdes indoliques (isolement et purification), Antipaïne (composition chimique), Antipaïne (pharmacologie), Antiprotozoaires (composition chimique), Antiprotozoaires (isolement et purification), Antiprotozoaires (pharmacologie), Apocynaceae (composition chimique), Carbolines (composition chimique), Carbolines (isolement et purification), Carbolines (pharmacologie), Cellules THP-1 (MeSH), Concentration inhibitrice 50 (MeSH), Extraits de plantes (composition chimique), Humains (MeSH), Leishmania mexicana (croissance et développement), Leishmania mexicana (effets des médicaments et des substances chimiques), Protéines de protozoaire (antagonistes et inhibiteurs), Protéines de protozoaire (composition chimique), Serine endopeptidases (composition chimique), Simulation de docking moléculaire (MeSH), Simulation de dynamique moléculaire (MeSH), Survie cellulaire (effets des médicaments et des substances chimiques), Écorce (composition chimique), Étapes du cycle de vie (effets des médicaments et des substances chimiques), Étapes du cycle de vie (physiologie).
MESH :
- antagonistes et inhibiteurs : Protéines de protozoaire.
- classification : Alcaloïdes indoliques.
- composition chimique : Alcaloïdes indoliques, Antipaïne, Antiprotozoaires, Apocynaceae, Carbolines, Extraits de plantes, Protéines de protozoaire, Serine endopeptidases, Écorce.
- croissance et développement : Leishmania mexicana.
- effets des médicaments et des substances chimiques : Leishmania mexicana, Survie cellulaire, Étapes du cycle de vie.
- isolement et purification : Alcaloïdes indoliques, Antiprotozoaires, Carbolines.
- pharmacologie : Antipaïne, Antiprotozoaires, Carbolines.
- physiologie : Étapes du cycle de vie.
- Cellules THP-1, Concentration inhibitrice 50, Humains, Simulation de docking moléculaire, Simulation de dynamique moléculaire.

English descriptors

KwdEn :
- Antipain (chemistry), Antipain (pharmacology), Antiprotozoal Agents (chemistry), Antiprotozoal Agents (isolation & purification), Antiprotozoal Agents (pharmacology), Apocynaceae (chemistry), Carbolines (chemistry), Carbolines (isolation & purification), Carbolines (pharmacology), Cell Survival (drug effects), Humans (MeSH), Indole Alkaloids (chemistry), Indole Alkaloids (classification), Indole Alkaloids (isolation & purification), Inhibitory Concentration 50 (MeSH), Leishmania mexicana (drug effects), Leishmania mexicana (growth & development), Life Cycle Stages (drug effects), Life Cycle Stages (physiology), Molecular Docking Simulation (MeSH), Molecular Dynamics Simulation (MeSH), Plant Bark (chemistry), Plant Extracts (chemistry), Protozoan Proteins (antagonists & inhibitors), Protozoan Proteins (chemistry), Serine Endopeptidases (chemistry), THP-1 Cells (MeSH).
MESH :
- chemical , antagonists & inhibitors : Protozoan Proteins.
- chemical , chemistry : Antipain, Antiprotozoal Agents, Carbolines, Indole Alkaloids, Plant Extracts, Protozoan Proteins, Serine Endopeptidases.
- chemical , classification : Indole Alkaloids.
- chemical , isolation & purification : Antiprotozoal Agents, Carbolines, Indole Alkaloids.
- chemical , pharmacology : Antipain, Antiprotozoal Agents, Carbolines.
- chemistry : Apocynaceae, Plant Bark.
- drug effects : Cell Survival, Leishmania mexicana, Life Cycle Stages.
- growth & development : Leishmania mexicana.
- physiology : Life Cycle Stages.
- Humans, Inhibitory Concentration 50, Molecular Docking Simulation, Molecular Dynamics Simulation, THP-1 Cells.

Abstract

Chemotherapy is limited in the treatment of leishmaniasis due to the toxic effects of drugs, low efficacy of alternative treatments, and resistance of the parasite. This work assesses the in vitro activity of flavopereirine on promastigote cultures of Leishmania amazonensis. In addition, an in silico evaluation of the physicochemical characteristics of this alkaloid is performed. The extract and fractions were characterized by thin-layer chromatography and HPLC-DAD, yielding an alkaloid identified by NMR. The antileishmanial activity and cytotoxicity were assayed by cell viability test (MTT). The theoretical molecular properties were calculated on the Molinspiration website. The fractionation made it possible to isolate a beta-carboline alkaloid (flavopereirine) in the alkaloid fraction. Moreover, it led to obtaining a fraction with greater antileishmanial activity, since flavopereirine is very active. Regarding the exposure time, a greater inhibitory effect of flavopereirine was observed at 24 h and 72 h (IC₅₀ of 0.23 and 0.15 μg/mL, respectively). The extract, fractions, and flavopereirine presented low toxicity, with high selectivity for the alkaloid. Furthermore, flavopereirine showed no violation of Lipinski's rule of five, showing even better results than the known inhibitor of oligopeptidase B, antipain, with three violations. Flavopereirine also interacted with residue Tyr-499 of oligopeptidase B during the molecular dynamics simulations, giving a few insights of a possible favorable mechanism of interaction and a possible inhibitory pathway. Flavopereirine proved to be a promising molecule for its antileishmanial activity.

DOI: 10.3390/molecules24040785
PubMed: 30795632
PubMed Central: PMC6412932

Affiliations:

Links toward previous steps (curation, corpus...)

to stream Main, to step Corpus: 000468
to stream Main, to step Curation: 000468

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Flavopereirine-An Alkaloid Derived from <i>Geissospermum vellosii</i>
-Presents Leishmanicidal Activity In Vitro.</title>
<author><name sortKey="Da Silva E Silva, Joao Victor" sort="Da Silva E Silva, Joao Victor" uniqKey="Da Silva E Silva J" first="João Victor" last="Da Silva E Silva">João Victor Da Silva E Silva</name>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. jvssilva89@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
<affiliation wicri:level="1"><nlm:affiliation>Laboratory of Immunomodulation and Protozoology, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro 21040-900, Brazil. jvssilva89@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Laboratory of Immunomodulation and Protozoology, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro 21040-900</wicri:regionArea>
<placeName><settlement type="city">Rio de Janeiro</settlement>
<region type="state">État de Rio de Janeiro</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Cordovil Brigido, Heliton Patrick" sort="Cordovil Brigido, Heliton Patrick" uniqKey="Cordovil Brigido H" first="Heliton Patrick" last="Cordovil Brigido">Heliton Patrick Cordovil Brigido</name>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA, Brazil. helitom2009@hotmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Oliveira De Albuquerque, Kelly Cristina" sort="Oliveira De Albuquerque, Kelly Cristina" uniqKey="Oliveira De Albuquerque K" first="Kelly Cristina" last="Oliveira De Albuquerque">Kelly Cristina Oliveira De Albuquerque</name>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. kellyoalbuquerque@hotmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Miranda Carvalho, Josiwander" sort="Miranda Carvalho, Josiwander" uniqKey="Miranda Carvalho J" first="Josiwander" last="Miranda Carvalho">Josiwander Miranda Carvalho</name>
<affiliation wicri:level="2"><nlm:affiliation>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA, Brazil. mcwander@hotmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Ferreira Reis, Jordano" sort="Ferreira Reis, Jordano" uniqKey="Ferreira Reis J" first="Jordano" last="Ferreira Reis">Jordano Ferreira Reis</name>
<affiliation wicri:level="2"><nlm:affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. jordanoreis@outlook.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Vinhal Faria, Lara" sort="Vinhal Faria, Lara" uniqKey="Vinhal Faria L" first="Lara" last="Vinhal Faria">Lara Vinhal Faria</name>
<affiliation wicri:level="2"><nlm:affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. laravf24@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Coelho Ferreira, Marlia" sort="Coelho Ferreira, Marlia" uniqKey="Coelho Ferreira M" first="Márlia" last="Coelho-Ferreira">Márlia Coelho-Ferreira</name>
<affiliation wicri:level="2"><nlm:affiliation>Emílio Goeldi Paraense Museum, Coordination of Botany, Ministry of Science, Technology, Innovation and Communications. Belém, 66077-530 PA, Brazil. mcoelho@museu-goeldi.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Emílio Goeldi Paraense Museum, Coordination of Botany, Ministry of Science, Technology, Innovation and Communications. Belém, 66077-530 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Silveira, Fernando Tobias" sort="Silveira, Fernando Tobias" uniqKey="Silveira F" first="Fernando Tobias" last="Silveira">Fernando Tobias Silveira</name>
<affiliation wicri:level="2"><nlm:affiliation>Evandro Chagas Institute, National Health Foundation, BR-316 Highway km 7, Ananindeua, 67030-000 PA, Brazil. fernandotobias@iec.pa.gov.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Evandro Chagas Institute, National Health Foundation, BR-316 Highway km 7, Ananindeua, 67030-000 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Da Silva Carneiro, Agnaldo" sort="Da Silva Carneiro, Agnaldo" uniqKey="Da Silva Carneiro A" first="Agnaldo" last="Da Silva Carneiro">Agnaldo Da Silva Carneiro</name>
<affiliation wicri:level="2"><nlm:affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. agsicar@yahoo.com.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Percario, Sandro" sort="Percario, Sandro" uniqKey="Percario S" first="Sandro" last="Percário">Sandro Percário</name>
<affiliation wicri:level="1"><nlm:affiliation>US Centers for Disease Control and Prevention (CDC), Atlanta, 30329 GA, USA. percario@ufpa.br.</nlm:affiliation>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>US Centers for Disease Control and Prevention (CDC), Atlanta, 30329 GA</wicri:regionArea>
<wicri:noRegion>30329 GA</wicri:noRegion>
</affiliation>
<affiliation wicri:level="2"><nlm:affiliation>Oxidative Stress Research Lab, Institute of Biological Sciences (ICB), Federal University of Pará, Belém, 66075-110 PA, Brazil. percario@ufpa.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Oxidative Stress Research Lab, Institute of Biological Sciences (ICB), Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Do Rosario Marinho, Andrey Moacir" sort="Do Rosario Marinho, Andrey Moacir" uniqKey="Do Rosario Marinho A" first="Andrey Moacir" last="Do Rosário Marinho">Andrey Moacir Do Rosário Marinho</name>
<affiliation wicri:level="2"><nlm:affiliation>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA, Brazil. andrey@ufpa.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Dolabela, Maria Fani" sort="Dolabela, Maria Fani" uniqKey="Dolabela M" first="Maria Fâni" last="Dolabela">Maria Fâni Dolabela</name>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. fanidolabela20@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA, Brazil. fanidolabela20@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PubMed</idno>
<date when="2019">2019</date>
<idno type="RBID">pubmed:30795632</idno>
<idno type="pmid">30795632</idno>
<idno type="doi">10.3390/molecules24040785</idno>
<idno type="pmc">PMC6412932</idno>
<idno type="wicri:Area/Main/Corpus">000468</idno>
<idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Corpus" wicri:corpus="PubMed">000468</idno>
<idno type="wicri:Area/Main/Curation">000468</idno>
<idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Curation">000468</idno>
<idno type="wicri:Area/Main/Exploration">000468</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">Flavopereirine-An Alkaloid Derived from <i>Geissospermum vellosii</i>
-Presents Leishmanicidal Activity In Vitro.</title>
<author><name sortKey="Da Silva E Silva, Joao Victor" sort="Da Silva E Silva, Joao Victor" uniqKey="Da Silva E Silva J" first="João Victor" last="Da Silva E Silva">João Victor Da Silva E Silva</name>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. jvssilva89@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
<affiliation wicri:level="1"><nlm:affiliation>Laboratory of Immunomodulation and Protozoology, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro 21040-900, Brazil. jvssilva89@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Laboratory of Immunomodulation and Protozoology, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro 21040-900</wicri:regionArea>
<placeName><settlement type="city">Rio de Janeiro</settlement>
<region type="state">État de Rio de Janeiro</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Cordovil Brigido, Heliton Patrick" sort="Cordovil Brigido, Heliton Patrick" uniqKey="Cordovil Brigido H" first="Heliton Patrick" last="Cordovil Brigido">Heliton Patrick Cordovil Brigido</name>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA, Brazil. helitom2009@hotmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Oliveira De Albuquerque, Kelly Cristina" sort="Oliveira De Albuquerque, Kelly Cristina" uniqKey="Oliveira De Albuquerque K" first="Kelly Cristina" last="Oliveira De Albuquerque">Kelly Cristina Oliveira De Albuquerque</name>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. kellyoalbuquerque@hotmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Miranda Carvalho, Josiwander" sort="Miranda Carvalho, Josiwander" uniqKey="Miranda Carvalho J" first="Josiwander" last="Miranda Carvalho">Josiwander Miranda Carvalho</name>
<affiliation wicri:level="2"><nlm:affiliation>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA, Brazil. mcwander@hotmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Ferreira Reis, Jordano" sort="Ferreira Reis, Jordano" uniqKey="Ferreira Reis J" first="Jordano" last="Ferreira Reis">Jordano Ferreira Reis</name>
<affiliation wicri:level="2"><nlm:affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. jordanoreis@outlook.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Vinhal Faria, Lara" sort="Vinhal Faria, Lara" uniqKey="Vinhal Faria L" first="Lara" last="Vinhal Faria">Lara Vinhal Faria</name>
<affiliation wicri:level="2"><nlm:affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. laravf24@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Coelho Ferreira, Marlia" sort="Coelho Ferreira, Marlia" uniqKey="Coelho Ferreira M" first="Márlia" last="Coelho-Ferreira">Márlia Coelho-Ferreira</name>
<affiliation wicri:level="2"><nlm:affiliation>Emílio Goeldi Paraense Museum, Coordination of Botany, Ministry of Science, Technology, Innovation and Communications. Belém, 66077-530 PA, Brazil. mcoelho@museu-goeldi.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Emílio Goeldi Paraense Museum, Coordination of Botany, Ministry of Science, Technology, Innovation and Communications. Belém, 66077-530 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Silveira, Fernando Tobias" sort="Silveira, Fernando Tobias" uniqKey="Silveira F" first="Fernando Tobias" last="Silveira">Fernando Tobias Silveira</name>
<affiliation wicri:level="2"><nlm:affiliation>Evandro Chagas Institute, National Health Foundation, BR-316 Highway km 7, Ananindeua, 67030-000 PA, Brazil. fernandotobias@iec.pa.gov.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Evandro Chagas Institute, National Health Foundation, BR-316 Highway km 7, Ananindeua, 67030-000 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Da Silva Carneiro, Agnaldo" sort="Da Silva Carneiro, Agnaldo" uniqKey="Da Silva Carneiro A" first="Agnaldo" last="Da Silva Carneiro">Agnaldo Da Silva Carneiro</name>
<affiliation wicri:level="2"><nlm:affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. agsicar@yahoo.com.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Percario, Sandro" sort="Percario, Sandro" uniqKey="Percario S" first="Sandro" last="Percário">Sandro Percário</name>
<affiliation wicri:level="1"><nlm:affiliation>US Centers for Disease Control and Prevention (CDC), Atlanta, 30329 GA, USA. percario@ufpa.br.</nlm:affiliation>
<country xml:lang="fr">États-Unis</country>
<wicri:regionArea>US Centers for Disease Control and Prevention (CDC), Atlanta, 30329 GA</wicri:regionArea>
<wicri:noRegion>30329 GA</wicri:noRegion>
</affiliation>
<affiliation wicri:level="2"><nlm:affiliation>Oxidative Stress Research Lab, Institute of Biological Sciences (ICB), Federal University of Pará, Belém, 66075-110 PA, Brazil. percario@ufpa.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Oxidative Stress Research Lab, Institute of Biological Sciences (ICB), Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Do Rosario Marinho, Andrey Moacir" sort="Do Rosario Marinho, Andrey Moacir" uniqKey="Do Rosario Marinho A" first="Andrey Moacir" last="Do Rosário Marinho">Andrey Moacir Do Rosário Marinho</name>
<affiliation wicri:level="2"><nlm:affiliation>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA, Brazil. andrey@ufpa.br.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Dolabela, Maria Fani" sort="Dolabela, Maria Fani" uniqKey="Dolabela M" first="Maria Fâni" last="Dolabela">Maria Fâni Dolabela</name>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. fanidolabela20@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
<affiliation wicri:level="2"><nlm:affiliation>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA, Brazil. fanidolabela20@gmail.com.</nlm:affiliation>
<country xml:lang="fr">Brésil</country>
<wicri:regionArea>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA</wicri:regionArea>
<placeName><region type="state">Pará</region>
</placeName>
</affiliation>
</author>
</analytic>
<series><title level="j">Molecules (Basel, Switzerland)</title>
<idno type="eISSN">1420-3049</idno>
<imprint><date when="2019" type="published">2019</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Antipain (chemistry)</term>
<term>Antipain (pharmacology)</term>
<term>Antiprotozoal Agents (chemistry)</term>
<term>Antiprotozoal Agents (isolation & purification)</term>
<term>Antiprotozoal Agents (pharmacology)</term>
<term>Apocynaceae (chemistry)</term>
<term>Carbolines (chemistry)</term>
<term>Carbolines (isolation & purification)</term>
<term>Carbolines (pharmacology)</term>
<term>Cell Survival (drug effects)</term>
<term>Humans (MeSH)</term>
<term>Indole Alkaloids (chemistry)</term>
<term>Indole Alkaloids (classification)</term>
<term>Indole Alkaloids (isolation & purification)</term>
<term>Inhibitory Concentration 50 (MeSH)</term>
<term>Leishmania mexicana (drug effects)</term>
<term>Leishmania mexicana (growth & development)</term>
<term>Life Cycle Stages (drug effects)</term>
<term>Life Cycle Stages (physiology)</term>
<term>Molecular Docking Simulation (MeSH)</term>
<term>Molecular Dynamics Simulation (MeSH)</term>
<term>Plant Bark (chemistry)</term>
<term>Plant Extracts (chemistry)</term>
<term>Protozoan Proteins (antagonists & inhibitors)</term>
<term>Protozoan Proteins (chemistry)</term>
<term>Serine Endopeptidases (chemistry)</term>
<term>THP-1 Cells (MeSH)</term>
</keywords>
<keywords scheme="KwdFr" xml:lang="fr"><term>Alcaloïdes indoliques (classification)</term>
<term>Alcaloïdes indoliques (composition chimique)</term>
<term>Alcaloïdes indoliques (isolement et purification)</term>
<term>Antipaïne (composition chimique)</term>
<term>Antipaïne (pharmacologie)</term>
<term>Antiprotozoaires (composition chimique)</term>
<term>Antiprotozoaires (isolement et purification)</term>
<term>Antiprotozoaires (pharmacologie)</term>
<term>Apocynaceae (composition chimique)</term>
<term>Carbolines (composition chimique)</term>
<term>Carbolines (isolement et purification)</term>
<term>Carbolines (pharmacologie)</term>
<term>Cellules THP-1 (MeSH)</term>
<term>Concentration inhibitrice 50 (MeSH)</term>
<term>Extraits de plantes (composition chimique)</term>
<term>Humains (MeSH)</term>
<term>Leishmania mexicana (croissance et développement)</term>
<term>Leishmania mexicana (effets des médicaments et des substances chimiques)</term>
<term>Protéines de protozoaire (antagonistes et inhibiteurs)</term>
<term>Protéines de protozoaire (composition chimique)</term>
<term>Serine endopeptidases (composition chimique)</term>
<term>Simulation de docking moléculaire (MeSH)</term>
<term>Simulation de dynamique moléculaire (MeSH)</term>
<term>Survie cellulaire (effets des médicaments et des substances chimiques)</term>
<term>Écorce (composition chimique)</term>
<term>Étapes du cycle de vie (effets des médicaments et des substances chimiques)</term>
<term>Étapes du cycle de vie (physiologie)</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="antagonists & inhibitors" xml:lang="en"><term>Protozoan Proteins</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Antipain</term>
<term>Antiprotozoal Agents</term>
<term>Carbolines</term>
<term>Indole Alkaloids</term>
<term>Plant Extracts</term>
<term>Protozoan Proteins</term>
<term>Serine Endopeptidases</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="classification" xml:lang="en"><term>Indole Alkaloids</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="isolation & purification" xml:lang="en"><term>Antiprotozoal Agents</term>
<term>Carbolines</term>
<term>Indole Alkaloids</term>
</keywords>
<keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Antipain</term>
<term>Antiprotozoal Agents</term>
<term>Carbolines</term>
</keywords>
<keywords scheme="MESH" qualifier="antagonistes et inhibiteurs" xml:lang="fr"><term>Protéines de protozoaire</term>
</keywords>
<keywords scheme="MESH" qualifier="chemistry" xml:lang="en"><term>Apocynaceae</term>
<term>Plant Bark</term>
</keywords>
<keywords scheme="MESH" qualifier="classification" xml:lang="fr"><term>Alcaloïdes indoliques</term>
</keywords>
<keywords scheme="MESH" qualifier="composition chimique" xml:lang="fr"><term>Alcaloïdes indoliques</term>
<term>Antipaïne</term>
<term>Antiprotozoaires</term>
<term>Apocynaceae</term>
<term>Carbolines</term>
<term>Extraits de plantes</term>
<term>Protéines de protozoaire</term>
<term>Serine endopeptidases</term>
<term>Écorce</term>
</keywords>
<keywords scheme="MESH" qualifier="croissance et développement" xml:lang="fr"><term>Leishmania mexicana</term>
</keywords>
<keywords scheme="MESH" qualifier="drug effects" xml:lang="en"><term>Cell Survival</term>
<term>Leishmania mexicana</term>
<term>Life Cycle Stages</term>
</keywords>
<keywords scheme="MESH" qualifier="effets des médicaments et des substances chimiques" xml:lang="fr"><term>Leishmania mexicana</term>
<term>Survie cellulaire</term>
<term>Étapes du cycle de vie</term>
</keywords>
<keywords scheme="MESH" qualifier="growth & development" xml:lang="en"><term>Leishmania mexicana</term>
</keywords>
<keywords scheme="MESH" qualifier="isolement et purification" xml:lang="fr"><term>Alcaloïdes indoliques</term>
<term>Antiprotozoaires</term>
<term>Carbolines</term>
</keywords>
<keywords scheme="MESH" qualifier="pharmacologie" xml:lang="fr"><term>Antipaïne</term>
<term>Antiprotozoaires</term>
<term>Carbolines</term>
</keywords>
<keywords scheme="MESH" qualifier="physiologie" xml:lang="fr"><term>Étapes du cycle de vie</term>
</keywords>
<keywords scheme="MESH" qualifier="physiology" xml:lang="en"><term>Life Cycle Stages</term>
</keywords>
<keywords scheme="MESH" xml:lang="en"><term>Humans</term>
<term>Inhibitory Concentration 50</term>
<term>Molecular Docking Simulation</term>
<term>Molecular Dynamics Simulation</term>
<term>THP-1 Cells</term>
</keywords>
<keywords scheme="MESH" xml:lang="fr"><term>Cellules THP-1</term>
<term>Concentration inhibitrice 50</term>
<term>Humains</term>
<term>Simulation de docking moléculaire</term>
<term>Simulation de dynamique moléculaire</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Chemotherapy is limited in the treatment of leishmaniasis due to the toxic effects of drugs, low efficacy of alternative treatments, and resistance of the parasite. This work assesses the in vitro activity of flavopereirine on promastigote cultures of <i>Leishmania amazonensis</i>
. In addition, an in silico evaluation of the physicochemical characteristics of this alkaloid is performed. The extract and fractions were characterized by thin-layer chromatography and HPLC-DAD, yielding an alkaloid identified by NMR. The antileishmanial activity and cytotoxicity were assayed by cell viability test (MTT). The theoretical molecular properties were calculated on the Molinspiration website. The fractionation made it possible to isolate a beta-carboline alkaloid (flavopereirine) in the alkaloid fraction. Moreover, it led to obtaining a fraction with greater antileishmanial activity, since flavopereirine is very active. Regarding the exposure time, a greater inhibitory effect of flavopereirine was observed at 24 h and 72 h (IC<sub>50</sub>
 of 0.23 and 0.15 μg/mL, respectively). The extract, fractions, and flavopereirine presented low toxicity, with high selectivity for the alkaloid. Furthermore, flavopereirine showed no violation of Lipinski's rule of five, showing even better results than the known inhibitor of oligopeptidase B, antipain, with three violations. Flavopereirine also interacted with residue Tyr-499 of oligopeptidase B during the molecular dynamics simulations, giving a few insights of a possible favorable mechanism of interaction and a possible inhibitory pathway. Flavopereirine proved to be a promising molecule for its antileishmanial activity.</div>
</front>
</TEI>
<pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">30795632</PMID>
<DateCompleted><Year>2019</Year>
<Month>06</Month>
<Day>10</Day>
</DateCompleted>
<DateRevised><Year>2020</Year>
<Month>02</Month>
<Day>25</Day>
</DateRevised>
<Article PubModel="Electronic"><Journal><ISSN IssnType="Electronic">1420-3049</ISSN>
<JournalIssue CitedMedium="Internet"><Volume>24</Volume>
<Issue>4</Issue>
<PubDate><Year>2019</Year>
<Month>Feb</Month>
<Day>21</Day>
</PubDate>
</JournalIssue>
<Title>Molecules (Basel, Switzerland)</Title>
<ISOAbbreviation>Molecules</ISOAbbreviation>
</Journal>
<ArticleTitle>Flavopereirine-An Alkaloid Derived from <i>Geissospermum vellosii</i>
-Presents Leishmanicidal Activity In Vitro.</ArticleTitle>
<ELocationID EIdType="pii" ValidYN="Y">E785</ELocationID>
<ELocationID EIdType="doi" ValidYN="Y">10.3390/molecules24040785</ELocationID>
<Abstract><AbstractText>Chemotherapy is limited in the treatment of leishmaniasis due to the toxic effects of drugs, low efficacy of alternative treatments, and resistance of the parasite. This work assesses the in vitro activity of flavopereirine on promastigote cultures of <i>Leishmania amazonensis</i>
. In addition, an in silico evaluation of the physicochemical characteristics of this alkaloid is performed. The extract and fractions were characterized by thin-layer chromatography and HPLC-DAD, yielding an alkaloid identified by NMR. The antileishmanial activity and cytotoxicity were assayed by cell viability test (MTT). The theoretical molecular properties were calculated on the Molinspiration website. The fractionation made it possible to isolate a beta-carboline alkaloid (flavopereirine) in the alkaloid fraction. Moreover, it led to obtaining a fraction with greater antileishmanial activity, since flavopereirine is very active. Regarding the exposure time, a greater inhibitory effect of flavopereirine was observed at 24 h and 72 h (IC<sub>50</sub>
 of 0.23 and 0.15 μg/mL, respectively). The extract, fractions, and flavopereirine presented low toxicity, with high selectivity for the alkaloid. Furthermore, flavopereirine showed no violation of Lipinski's rule of five, showing even better results than the known inhibitor of oligopeptidase B, antipain, with three violations. Flavopereirine also interacted with residue Tyr-499 of oligopeptidase B during the molecular dynamics simulations, giving a few insights of a possible favorable mechanism of interaction and a possible inhibitory pathway. Flavopereirine proved to be a promising molecule for its antileishmanial activity.</AbstractText>
</Abstract>
<AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>da Silva E Silva</LastName>
<ForeName>João Victor</ForeName>
<Initials>JV</Initials>
<AffiliationInfo><Affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. jvssilva89@gmail.com.</Affiliation>
</AffiliationInfo>
<AffiliationInfo><Affiliation>Laboratory of Immunomodulation and Protozoology, Oswaldo Cruz Institute, FIOCRUZ, Rio de Janeiro 21040-900, Brazil. jvssilva89@gmail.com.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Cordovil Brigido</LastName>
<ForeName>Heliton Patrick</ForeName>
<Initials>HP</Initials>
<AffiliationInfo><Affiliation>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA, Brazil. helitom2009@hotmail.com.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Oliveira de Albuquerque</LastName>
<ForeName>Kelly Cristina</ForeName>
<Initials>KC</Initials>
<AffiliationInfo><Affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. kellyoalbuquerque@hotmail.com.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Miranda Carvalho</LastName>
<ForeName>Josiwander</ForeName>
<Initials>J</Initials>
<AffiliationInfo><Affiliation>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA, Brazil. mcwander@hotmail.com.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Ferreira Reis</LastName>
<ForeName>Jordano</ForeName>
<Initials>J</Initials>
<AffiliationInfo><Affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. jordanoreis@outlook.com.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Vinhal Faria</LastName>
<ForeName>Lara</ForeName>
<Initials>L</Initials>
<AffiliationInfo><Affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. laravf24@gmail.com.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Coelho-Ferreira</LastName>
<ForeName>Márlia</ForeName>
<Initials>M</Initials>
<AffiliationInfo><Affiliation>Emílio Goeldi Paraense Museum, Coordination of Botany, Ministry of Science, Technology, Innovation and Communications. Belém, 66077-530 PA, Brazil. mcoelho@museu-goeldi.br.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Silveira</LastName>
<ForeName>Fernando Tobias</ForeName>
<Initials>FT</Initials>
<AffiliationInfo><Affiliation>Evandro Chagas Institute, National Health Foundation, BR-316 Highway km 7, Ananindeua, 67030-000 PA, Brazil. fernandotobias@iec.pa.gov.br.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>da Silva Carneiro</LastName>
<ForeName>Agnaldo</ForeName>
<Initials>A</Initials>
<AffiliationInfo><Affiliation>Faculty of Pharmacy, Federal University of Pará, Belém, 66075-110 PA, Brazil. agsicar@yahoo.com.br.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Percário</LastName>
<ForeName>Sandro</ForeName>
<Initials>S</Initials>
<AffiliationInfo><Affiliation>US Centers for Disease Control and Prevention (CDC), Atlanta, 30329 GA, USA. percario@ufpa.br.</Affiliation>
</AffiliationInfo>
<AffiliationInfo><Affiliation>Oxidative Stress Research Lab, Institute of Biological Sciences (ICB), Federal University of Pará, Belém, 66075-110 PA, Brazil. percario@ufpa.br.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>do Rosário Marinho</LastName>
<ForeName>Andrey Moacir</ForeName>
<Initials>AM</Initials>
<AffiliationInfo><Affiliation>College of Chemistry, Federal University of Pará, Belém, 66075-110 PA, Brazil. andrey@ufpa.br.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Dolabela</LastName>
<ForeName>Maria Fâni</ForeName>
<Initials>MF</Initials>
<AffiliationInfo><Affiliation>Post-Graduate Program in Pharmaceutical Sciences, Federal University of Pará, Belém, 66075-110 PA, Brazil. fanidolabela20@gmail.com.</Affiliation>
</AffiliationInfo>
<AffiliationInfo><Affiliation>Post-Graduate Program in Pharmaceutical Innovation, Federal University of Pará, Belém, 66075-110 PA, Brazil. fanidolabela20@gmail.com.</Affiliation>
</AffiliationInfo>
</Author>
</AuthorList>
<Language>eng</Language>
<GrantList CompleteYN="Y"><Grant><GrantID>310608/2013-9</GrantID>
<Agency>Conselho Nacional de Desenvolvimento Científico e Tecnológico</Agency>
<Country></Country>
</Grant>
<Grant><GrantID>Universal; 483894/2012-5</GrantID>
<Agency>Conselho Nacional de Desenvolvimento Científico e Tecnológico</Agency>
<Country></Country>
</Grant>
</GrantList>
<PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType>
</PublicationTypeList>
<ArticleDate DateType="Electronic"><Year>2019</Year>
<Month>02</Month>
<Day>21</Day>
</ArticleDate>
</Article>
<MedlineJournalInfo><Country>Switzerland</Country>
<MedlineTA>Molecules</MedlineTA>
<NlmUniqueID>100964009</NlmUniqueID>
<ISSNLinking>1420-3049</ISSNLinking>
</MedlineJournalInfo>
<ChemicalList><Chemical><RegistryNumber>0</RegistryNumber>
<NameOfSubstance UI="D000981">Antiprotozoal Agents</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>0</RegistryNumber>
<NameOfSubstance UI="D002243">Carbolines</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>0</RegistryNumber>
<NameOfSubstance UI="D026121">Indole Alkaloids</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>0</RegistryNumber>
<NameOfSubstance UI="D010936">Plant Extracts</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>0</RegistryNumber>
<NameOfSubstance UI="D015800">Protozoan Proteins</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>37691-11-5</RegistryNumber>
<NameOfSubstance UI="D000976">Antipain</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>EC 3.4.21.-</RegistryNumber>
<NameOfSubstance UI="D012697">Serine Endopeptidases</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>EC 3.4.21.83</RegistryNumber>
<NameOfSubstance UI="C090703">oligopeptidase B</NameOfSubstance>
</Chemical>
<Chemical><RegistryNumber>JIG1Q7Z9UH</RegistryNumber>
<NameOfSubstance UI="C034262">flavopereirine</NameOfSubstance>
</Chemical>
</ChemicalList>
<CitationSubset>IM</CitationSubset>
<MeshHeadingList><MeshHeading><DescriptorName UI="D000976" MajorTopicYN="N">Antipain</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName>
<QualifierName UI="Q000494" MajorTopicYN="N">pharmacology</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D000981" MajorTopicYN="N">Antiprotozoal Agents</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName>
<QualifierName UI="Q000302" MajorTopicYN="N">isolation & purification</QualifierName>
<QualifierName UI="Q000494" MajorTopicYN="Y">pharmacology</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D029062" MajorTopicYN="N">Apocynaceae</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D002243" MajorTopicYN="N">Carbolines</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName>
<QualifierName UI="Q000302" MajorTopicYN="N">isolation & purification</QualifierName>
<QualifierName UI="Q000494" MajorTopicYN="Y">pharmacology</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D002470" MajorTopicYN="N">Cell Survival</DescriptorName>
<QualifierName UI="Q000187" MajorTopicYN="N">drug effects</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D006801" MajorTopicYN="N">Humans</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D026121" MajorTopicYN="N">Indole Alkaloids</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName>
<QualifierName UI="Q000145" MajorTopicYN="N">classification</QualifierName>
<QualifierName UI="Q000302" MajorTopicYN="Y">isolation & purification</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D020128" MajorTopicYN="N">Inhibitory Concentration 50</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D007894" MajorTopicYN="N">Leishmania mexicana</DescriptorName>
<QualifierName UI="Q000187" MajorTopicYN="Y">drug effects</QualifierName>
<QualifierName UI="Q000254" MajorTopicYN="N">growth & development</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D008018" MajorTopicYN="N">Life Cycle Stages</DescriptorName>
<QualifierName UI="Q000187" MajorTopicYN="N">drug effects</QualifierName>
<QualifierName UI="Q000502" MajorTopicYN="N">physiology</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D062105" MajorTopicYN="N">Molecular Docking Simulation</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D056004" MajorTopicYN="N">Molecular Dynamics Simulation</DescriptorName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D024301" MajorTopicYN="N">Plant Bark</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D010936" MajorTopicYN="N">Plant Extracts</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D015800" MajorTopicYN="N">Protozoan Proteins</DescriptorName>
<QualifierName UI="Q000037" MajorTopicYN="Y">antagonists & inhibitors</QualifierName>
<QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D012697" MajorTopicYN="N">Serine Endopeptidases</DescriptorName>
<QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName>
</MeshHeading>
<MeshHeading><DescriptorName UI="D000074084" MajorTopicYN="N">THP-1 Cells</DescriptorName>
</MeshHeading>
</MeshHeadingList>
<KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">Geissospermum vellosii</Keyword>
<Keyword MajorTopicYN="N">apocynaceae</Keyword>
<Keyword MajorTopicYN="N">flavopereirine</Keyword>
<Keyword MajorTopicYN="N">in silico modeling</Keyword>
<Keyword MajorTopicYN="N">leishmania</Keyword>
<Keyword MajorTopicYN="N">medicinal chemistry</Keyword>
<Keyword MajorTopicYN="N">oligopeptidase B</Keyword>
</KeywordList>
<CoiStatement>The authors declare no conflict of interest.</CoiStatement>
</MedlineCitation>
<PubmedData><History><PubMedPubDate PubStatus="received"><Year>2018</Year>
<Month>12</Month>
<Day>24</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="revised"><Year>2019</Year>
<Month>01</Month>
<Day>25</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="accepted"><Year>2019</Year>
<Month>01</Month>
<Day>27</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="entrez"><Year>2019</Year>
<Month>2</Month>
<Day>24</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
<PubMedPubDate PubStatus="pubmed"><Year>2019</Year>
<Month>2</Month>
<Day>24</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
<PubMedPubDate PubStatus="medline"><Year>2019</Year>
<Month>6</Month>
<Day>14</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
</History>
<PublicationStatus>epublish</PublicationStatus>
<ArticleIdList><ArticleId IdType="pubmed">30795632</ArticleId>
<ArticleId IdType="pii">molecules24040785</ArticleId>
<ArticleId IdType="doi">10.3390/molecules24040785</ArticleId>
<ArticleId IdType="pmc">PMC6412932</ArticleId>
</ArticleIdList>
<ReferenceList><Reference><Citation>Acc Chem Res. 2000 Dec;33(12):889-97</Citation>
<ArticleIdList><ArticleId IdType="pubmed">11123888</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Infect Immun. 2001 Apr;69(4):2757-61</Citation>
<ArticleIdList><ArticleId IdType="pubmed">11254649</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Adv Drug Deliv Rev. 2001 Mar 1;46(1-3):3-26</Citation>
<ArticleIdList><ArticleId IdType="pubmed">11259830</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Nat Prod. 2002 Jan;65(1):85-8</Citation>
<ArticleIdList><ArticleId IdType="pubmed">11809075</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Comput Chem. 2004 Jul 15;25(9):1157-74</Citation>
<ArticleIdList><ArticleId IdType="pubmed">15116359</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Mem Inst Oswaldo Cruz. 2004 May;99(3):325-7</Citation>
<ArticleIdList><ArticleId IdType="pubmed">15273808</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>NeuroRx. 2005 Oct;2(4):541-53</Citation>
<ArticleIdList><ArticleId IdType="pubmed">16489364</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Bioinformatics. 2006 Jul 15;22(14):1710-6</Citation>
<ArticleIdList><ArticleId IdType="pubmed">16632493</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Med Chem. 2006 Jun 1;49(11):3315-21</Citation>
<ArticleIdList><ArticleId IdType="pubmed">16722650</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006 Aug 1;62(Pt 8):808-10</Citation>
<ArticleIdList><ArticleId IdType="pubmed">16880564</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Phytomedicine. 2007 Jun;14(6):377-80</Citation>
<ArticleIdList><ArticleId IdType="pubmed">17140782</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Biochimie. 2008 Feb;90(2):336-44</Citation>
<ArticleIdList><ArticleId IdType="pubmed">18029266</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Phys Chem B. 2008 Jul 31;112(30):9020-41</Citation>
<ArticleIdList><ArticleId IdType="pubmed">18593145</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Ethnopharmacol. 2009 Aug 17;125(1):163-9</Citation>
<ArticleIdList><ArticleId IdType="pubmed">19497357</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Mol Biochem Parasitol. 2011 Jan;175(1):49-57</Citation>
<ArticleIdList><ArticleId IdType="pubmed">20883728</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Biol Chem. 2010 Dec 10;285(50):39249-59</Citation>
<ArticleIdList><ArticleId IdType="pubmed">20926390</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Biol Chem. 2011 Jan 7;286(1):429-40</Citation>
<ArticleIdList><ArticleId IdType="pubmed">20961853</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Ethnopharmacol. 2012 Jan 31;139(2):471-7</Citation>
<ArticleIdList><ArticleId IdType="pubmed">22143154</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Nat Prod. 2012 May 25;75(5):928-34</Citation>
<ArticleIdList><ArticleId IdType="pubmed">22551062</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Nat Prod Commun. 2013 Nov;8(11):1541-4</Citation>
<ArticleIdList><ArticleId IdType="pubmed">24427936</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Drug Discov Today Technol. 2004 Dec;1(4):337-41</Citation>
<ArticleIdList><ArticleId IdType="pubmed">24981612</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Expert Opin Drug Discov. 2015 May;10(5):449-61</Citation>
<ArticleIdList><ArticleId IdType="pubmed">25835573</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Fitoterapia. 2015 Jun;103:192-6</Citation>
<ArticleIdList><ArticleId IdType="pubmed">25863351</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Malar J. 2015 Mar 27;14:132</Citation>
<ArticleIdList><ArticleId IdType="pubmed">25888719</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Comput Chem. 2015 Sep 30;36(25):1859-73</Citation>
<ArticleIdList><ArticleId IdType="pubmed">26216222</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Chem Theory Comput. 2015 Oct 13;11(10):4770-9</Citation>
<ArticleIdList><ArticleId IdType="pubmed">26574266</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Chem Theory Comput. 2013 Jul 9;9(7):3084-95</Citation>
<ArticleIdList><ArticleId IdType="pubmed">26583988</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Chem Theory Comput. 2012 Sep 11;8(9):3314-21</Citation>
<ArticleIdList><ArticleId IdType="pubmed">26605738</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Pharmacogn Mag. 2016 Jan;12(Suppl 1):S96-S101</Citation>
<ArticleIdList><ArticleId IdType="pubmed">27041867</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Mol Inform. 2012 Feb;31(2):114-22</Citation>
<ArticleIdList><ArticleId IdType="pubmed">27476956</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Braz J Med Biol Res. 2016 Oct 24;49(11):e5644</Citation>
<ArticleIdList><ArticleId IdType="pubmed">27783811</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Molecules. 2017 Jul 14;22(7):null</Citation>
<ArticleIdList><ArticleId IdType="pubmed">28708094</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Arch Pharm Res. 2018 Feb;41(2):208-218</Citation>
<ArticleIdList><ArticleId IdType="pubmed">29243039</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Immunol Methods. 1983 Dec 16;65(1-2):55-63</Citation>
<ArticleIdList><ArticleId IdType="pubmed">6606682</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Arch Biochem Biophys. 1995 Apr 20;318(2):247-50</Citation>
<ArticleIdList><ArticleId IdType="pubmed">7733651</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Nucleic Acids Res. 1999 Jan 1;27(1):325-31</Citation>
<ArticleIdList><ArticleId IdType="pubmed">9847218</ArticleId>
</ArticleIdList>
</Reference>
</ReferenceList>
</PubmedData>
</pubmed>
<affiliations><list><country><li>Brésil</li>
<li>États-Unis</li>
</country>
<region><li>Pará</li>
<li>État de Rio de Janeiro</li>
</region>
<settlement><li>Rio de Janeiro</li>
</settlement>
</list>
<tree><country name="Brésil"><region name="Pará"><name sortKey="Da Silva E Silva, Joao Victor" sort="Da Silva E Silva, Joao Victor" uniqKey="Da Silva E Silva J" first="João Victor" last="Da Silva E Silva">João Victor Da Silva E Silva</name>
</region>
<name sortKey="Coelho Ferreira, Marlia" sort="Coelho Ferreira, Marlia" uniqKey="Coelho Ferreira M" first="Márlia" last="Coelho-Ferreira">Márlia Coelho-Ferreira</name>
<name sortKey="Cordovil Brigido, Heliton Patrick" sort="Cordovil Brigido, Heliton Patrick" uniqKey="Cordovil Brigido H" first="Heliton Patrick" last="Cordovil Brigido">Heliton Patrick Cordovil Brigido</name>
<name sortKey="Da Silva Carneiro, Agnaldo" sort="Da Silva Carneiro, Agnaldo" uniqKey="Da Silva Carneiro A" first="Agnaldo" last="Da Silva Carneiro">Agnaldo Da Silva Carneiro</name>
<name sortKey="Da Silva E Silva, Joao Victor" sort="Da Silva E Silva, Joao Victor" uniqKey="Da Silva E Silva J" first="João Victor" last="Da Silva E Silva">João Victor Da Silva E Silva</name>
<name sortKey="Do Rosario Marinho, Andrey Moacir" sort="Do Rosario Marinho, Andrey Moacir" uniqKey="Do Rosario Marinho A" first="Andrey Moacir" last="Do Rosário Marinho">Andrey Moacir Do Rosário Marinho</name>
<name sortKey="Dolabela, Maria Fani" sort="Dolabela, Maria Fani" uniqKey="Dolabela M" first="Maria Fâni" last="Dolabela">Maria Fâni Dolabela</name>
<name sortKey="Dolabela, Maria Fani" sort="Dolabela, Maria Fani" uniqKey="Dolabela M" first="Maria Fâni" last="Dolabela">Maria Fâni Dolabela</name>
<name sortKey="Ferreira Reis, Jordano" sort="Ferreira Reis, Jordano" uniqKey="Ferreira Reis J" first="Jordano" last="Ferreira Reis">Jordano Ferreira Reis</name>
<name sortKey="Miranda Carvalho, Josiwander" sort="Miranda Carvalho, Josiwander" uniqKey="Miranda Carvalho J" first="Josiwander" last="Miranda Carvalho">Josiwander Miranda Carvalho</name>
<name sortKey="Oliveira De Albuquerque, Kelly Cristina" sort="Oliveira De Albuquerque, Kelly Cristina" uniqKey="Oliveira De Albuquerque K" first="Kelly Cristina" last="Oliveira De Albuquerque">Kelly Cristina Oliveira De Albuquerque</name>
<name sortKey="Percario, Sandro" sort="Percario, Sandro" uniqKey="Percario S" first="Sandro" last="Percário">Sandro Percário</name>
<name sortKey="Silveira, Fernando Tobias" sort="Silveira, Fernando Tobias" uniqKey="Silveira F" first="Fernando Tobias" last="Silveira">Fernando Tobias Silveira</name>
<name sortKey="Vinhal Faria, Lara" sort="Vinhal Faria, Lara" uniqKey="Vinhal Faria L" first="Lara" last="Vinhal Faria">Lara Vinhal Faria</name>
</country>
<country name="États-Unis"><noRegion><name sortKey="Percario, Sandro" sort="Percario, Sandro" uniqKey="Percario S" first="Sandro" last="Percário">Sandro Percário</name>
</noRegion>
</country>
</tree>
</affiliations>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Bois/explor/BiopestPeptidV1/Data/Main/Exploration

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000437 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 000437 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Bois
   |area=    BiopestPeptidV1
   |flux=    Main
   |étape=   Exploration
   |type=    RBID
   |clé=     pubmed:30795632
   |texte=   Flavopereirine-An Alkaloid Derived from Geissospermum vellosii-Presents Leishmanicidal Activity In Vitro.
}}

Pour générer des pages wiki

HfdIndexSelect -h $EXPLOR_AREA/Data/Main/Exploration/RBID.i   -Sk "pubmed:30795632" \
       | HfdSelect -Kh $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd   \
       | NlmPubMed2Wicri -a BiopestPeptidV1

This area was generated with Dilib version V0.6.38.
Data generation: Thu Nov 19 19:22:35 2020. Site generation: Thu Nov 19 19:33:26 2020

	Serveur d'exploration sur les peptides biopesticides
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration sur les peptides biopesticides

Flavopereirine-An Alkaloid Derived from Geissospermum vellosii-Presents Leishmanicidal Activity In Vitro.

Flavopereirine-An Alkaloid Derived from Geissospermum vellosii-Presents Leishmanicidal Activity In Vitro.

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

Pour générer des pages wiki