Novel acyl thiourea derivatives: Synthesis, antifungal activity, gene toxicity, drug-like and molecular docking screening.
Identifieur interne : 000437 ( Main/Exploration ); précédent : 000436; suivant : 000438Novel acyl thiourea derivatives: Synthesis, antifungal activity, gene toxicity, drug-like and molecular docking screening.
Auteurs : Lyudmyla Antypenko [Allemagne] ; Fatuma Meyer [Allemagne] ; Olena Kholodniak [Ukraine] ; Zhanar Sadykova [Allemagne] ; Tereza Jirásková [Allemagne] ; Anastasiia Troianova [Allemagne] ; Vladlena Buhaiova [Allemagne] ; Surui Cao [Allemagne] ; Sergiy Kovalenko [Ukraine] ; Leif-Alexander Garbe [Allemagne] ; Karl G. Steffens [Allemagne]Source :
- Archiv der Pharmazie [ 1521-4184 ] ; 2019.
Descripteurs français
- KwdFr :
- Antifongiques (composition chimique), Antifongiques (pharmacologie), Antifongiques (synthèse chimique), Chromatographie en phase liquide (méthodes), Relation structure-activité (MeSH), Salmonella (effets des médicaments et des substances chimiques), Salmonella (génétique), Simulation de docking moléculaire (MeSH), Spectrométrie de masse (méthodes), Spectroscopie par résonance magnétique (MeSH), Tests de mutagénicité (MeSH), Thiourée (analogues et dérivés), Thiourée (pharmacologie), Thiourée (synthèse chimique).
- MESH :
- analogues et dérivés : Thiourée.
- composition chimique : Antifongiques.
- effets des médicaments et des substances chimiques : Salmonella.
- génétique : Salmonella.
- méthodes : Chromatographie en phase liquide, Spectrométrie de masse.
- pharmacologie : Antifongiques, Thiourée.
- synthèse chimique : Antifongiques, Thiourée.
- Relation structure-activité, Simulation de docking moléculaire, Spectroscopie par résonance magnétique, Tests de mutagénicité.
English descriptors
- KwdEn :
- Antifungal Agents (chemical synthesis), Antifungal Agents (chemistry), Antifungal Agents (pharmacology), Chromatography, Liquid (methods), Magnetic Resonance Spectroscopy (MeSH), Mass Spectrometry (methods), Molecular Docking Simulation (MeSH), Mutagenicity Tests (MeSH), Salmonella (drug effects), Salmonella (genetics), Structure-Activity Relationship (MeSH), Thiourea (analogs & derivatives), Thiourea (chemical synthesis), Thiourea (pharmacology).
- MESH :
- chemical , analogs & derivatives : Thiourea.
- chemical , chemical synthesis : Antifungal Agents, Thiourea.
- chemical , chemistry : Antifungal Agents.
- chemical , pharmacology : Antifungal Agents, Thiourea.
- drug effects : Salmonella.
- genetics : Salmonella.
- methods : Chromatography, Liquid, Mass Spectrometry.
- Magnetic Resonance Spectroscopy, Molecular Docking Simulation, Mutagenicity Tests, Structure-Activity Relationship.
Abstract
Nine novel acyl thioureas were synthesized. Their identities and purities were confirmed by LC-MS spectra; each structure was elucidated by elemental analysis, IR, 1 Н and 13 C NMR spectra. Applying an in vitro screening of their antifungal potential, three substances (3, 5, and 6) could be selected as showing high activity against 11 fungi and 3 Phytophthora strains of phytopathogenic significance. Analysis of gene toxicity with the Salmonella reverse mutagenicity test, as an assessment of drug likeness, lipophilicity, and calculations of frontier molecular orbitals assign a low toxicity profile to these compounds. Molecular docking studies point to 14α-demethylase (CYP51) and N-myristoyltransferase (NMT) as possible fungal targets for growth inhibition. The findings are discussed with respect to structure-activity relationship (SAR).
DOI: 10.1002/ardp.201800275
PubMed: 30589110
Affiliations:
Links toward previous steps (curation, corpus...)
Le document en format XML
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Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Kovalenko, Sergiy" sort="Kovalenko, Sergiy" uniqKey="Kovalenko S" first="Sergiy" last="Kovalenko">Sergiy Kovalenko</name><affiliation wicri:level="1"><nlm:affiliation>Department of Organic and Bioorganic Chemistry, Zaporizhzhya State Medical University, Zaporizhzhya, Ukraine.</nlm:affiliation><country xml:lang="fr">Ukraine</country><wicri:regionArea>Department of Organic and Bioorganic Chemistry, Zaporizhzhya State Medical University, Zaporizhzhya</wicri:regionArea><wicri:noRegion>Zaporizhzhya</wicri:noRegion></affiliation></author><author><name sortKey="Garbe, Leif Alexander" sort="Garbe, Leif Alexander" uniqKey="Garbe L" first="Leif-Alexander" last="Garbe">Leif-Alexander Garbe</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Steffens, Karl G" sort="Steffens, Karl G" uniqKey="Steffens K" first="Karl G" last="Steffens">Karl G. 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wicri:step="Curation">000586</idno><idno type="wicri:Area/Main/Exploration">000586</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Novel acyl thiourea derivatives: Synthesis, antifungal activity, gene toxicity, drug-like and molecular docking screening.</title><author><name sortKey="Antypenko, Lyudmyla" sort="Antypenko, Lyudmyla" uniqKey="Antypenko L" first="Lyudmyla" last="Antypenko">Lyudmyla Antypenko</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Meyer, Fatuma" sort="Meyer, Fatuma" uniqKey="Meyer F" first="Fatuma" last="Meyer">Fatuma Meyer</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Kholodniak, Olena" sort="Kholodniak, Olena" uniqKey="Kholodniak O" first="Olena" last="Kholodniak">Olena Kholodniak</name><affiliation wicri:level="1"><nlm:affiliation>Department of Organic and Bioorganic Chemistry, Zaporizhzhya State Medical University, Zaporizhzhya, Ukraine.</nlm:affiliation><country xml:lang="fr">Ukraine</country><wicri:regionArea>Department of Organic and Bioorganic Chemistry, Zaporizhzhya State Medical University, Zaporizhzhya</wicri:regionArea><wicri:noRegion>Zaporizhzhya</wicri:noRegion></affiliation></author><author><name sortKey="Sadykova, Zhanar" sort="Sadykova, Zhanar" uniqKey="Sadykova Z" first="Zhanar" last="Sadykova">Zhanar Sadykova</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Jiraskova, Tereza" sort="Jiraskova, Tereza" uniqKey="Jiraskova T" first="Tereza" last="Jirásková">Tereza Jirásková</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Troianova, Anastasiia" sort="Troianova, Anastasiia" uniqKey="Troianova A" first="Anastasiia" last="Troianova">Anastasiia Troianova</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Buhaiova, Vladlena" sort="Buhaiova, Vladlena" uniqKey="Buhaiova V" first="Vladlena" last="Buhaiova">Vladlena Buhaiova</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Cao, Surui" sort="Cao, Surui" uniqKey="Cao S" first="Surui" last="Cao">Surui Cao</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Kovalenko, Sergiy" sort="Kovalenko, Sergiy" uniqKey="Kovalenko S" first="Sergiy" last="Kovalenko">Sergiy Kovalenko</name><affiliation wicri:level="1"><nlm:affiliation>Department of Organic and Bioorganic Chemistry, Zaporizhzhya State Medical University, Zaporizhzhya, Ukraine.</nlm:affiliation><country xml:lang="fr">Ukraine</country><wicri:regionArea>Department of Organic and Bioorganic Chemistry, Zaporizhzhya State Medical University, Zaporizhzhya</wicri:regionArea><wicri:noRegion>Zaporizhzhya</wicri:noRegion></affiliation></author><author><name sortKey="Garbe, Leif Alexander" sort="Garbe, Leif Alexander" uniqKey="Garbe L" first="Leif-Alexander" last="Garbe">Leif-Alexander Garbe</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author><author><name sortKey="Steffens, Karl G" sort="Steffens, Karl G" uniqKey="Steffens K" first="Karl G" last="Steffens">Karl G. Steffens</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg</wicri:regionArea><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion><wicri:noRegion>Neubrandenburg</wicri:noRegion></affiliation></author></analytic><series><title level="j">Archiv der Pharmazie</title><idno type="eISSN">1521-4184</idno><imprint><date when="2019" type="published">2019</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Antifungal Agents (chemical synthesis)</term><term>Antifungal Agents (chemistry)</term><term>Antifungal Agents (pharmacology)</term><term>Chromatography, Liquid (methods)</term><term>Magnetic Resonance Spectroscopy (MeSH)</term><term>Mass Spectrometry (methods)</term><term>Molecular Docking Simulation (MeSH)</term><term>Mutagenicity Tests (MeSH)</term><term>Salmonella (drug effects)</term><term>Salmonella (genetics)</term><term>Structure-Activity Relationship (MeSH)</term><term>Thiourea (analogs & derivatives)</term><term>Thiourea (chemical synthesis)</term><term>Thiourea (pharmacology)</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Antifongiques (composition chimique)</term><term>Antifongiques (pharmacologie)</term><term>Antifongiques (synthèse chimique)</term><term>Chromatographie en phase liquide (méthodes)</term><term>Relation structure-activité (MeSH)</term><term>Salmonella (effets des médicaments et des substances chimiques)</term><term>Salmonella (génétique)</term><term>Simulation de docking moléculaire (MeSH)</term><term>Spectrométrie de masse (méthodes)</term><term>Spectroscopie par résonance magnétique (MeSH)</term><term>Tests de mutagénicité (MeSH)</term><term>Thiourée (analogues et dérivés)</term><term>Thiourée (pharmacologie)</term><term>Thiourée (synthèse chimique)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="analogs & derivatives" xml:lang="en"><term>Thiourea</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemical synthesis" xml:lang="en"><term>Antifungal Agents</term><term>Thiourea</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Antifungal Agents</term></keywords><keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Antifungal Agents</term><term>Thiourea</term></keywords><keywords scheme="MESH" qualifier="analogues et dérivés" xml:lang="fr"><term>Thiourée</term></keywords><keywords scheme="MESH" qualifier="composition chimique" xml:lang="fr"><term>Antifongiques</term></keywords><keywords scheme="MESH" qualifier="drug effects" xml:lang="en"><term>Salmonella</term></keywords><keywords scheme="MESH" qualifier="effets des médicaments et des substances chimiques" xml:lang="fr"><term>Salmonella</term></keywords><keywords scheme="MESH" qualifier="genetics" xml:lang="en"><term>Salmonella</term></keywords><keywords scheme="MESH" qualifier="génétique" xml:lang="fr"><term>Salmonella</term></keywords><keywords scheme="MESH" qualifier="methods" xml:lang="en"><term>Chromatography, Liquid</term><term>Mass Spectrometry</term></keywords><keywords scheme="MESH" qualifier="méthodes" xml:lang="fr"><term>Chromatographie en phase liquide</term><term>Spectrométrie de masse</term></keywords><keywords scheme="MESH" qualifier="pharmacologie" xml:lang="fr"><term>Antifongiques</term><term>Thiourée</term></keywords><keywords scheme="MESH" qualifier="synthèse chimique" xml:lang="fr"><term>Antifongiques</term><term>Thiourée</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Magnetic Resonance Spectroscopy</term><term>Molecular Docking Simulation</term><term>Mutagenicity Tests</term><term>Structure-Activity Relationship</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Relation structure-activité</term><term>Simulation de docking moléculaire</term><term>Spectroscopie par résonance magnétique</term><term>Tests de mutagénicité</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Nine novel acyl thioureas were synthesized. Their identities and purities were confirmed by LC-MS spectra; each structure was elucidated by elemental analysis, IR, <sup>1</sup> Н and <sup>13</sup> C NMR spectra. Applying an in vitro screening of their antifungal potential, three substances (3, 5, and 6) could be selected as showing high activity against 11 fungi and 3 Phytophthora strains of phytopathogenic significance. Analysis of gene toxicity with the Salmonella reverse mutagenicity test, as an assessment of drug likeness, lipophilicity, and calculations of frontier molecular orbitals assign a low toxicity profile to these compounds. Molecular docking studies point to 14α-demethylase (CYP51) and N-myristoyltransferase (NMT) as possible fungal targets for growth inhibition. The findings are discussed with respect to structure-activity relationship (SAR).</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">30589110</PMID><DateCompleted><Year>2019</Year><Month>05</Month><Day>03</Day></DateCompleted><DateRevised><Year>2019</Year><Month>05</Month><Day>03</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1521-4184</ISSN><JournalIssue CitedMedium="Internet"><Volume>352</Volume><Issue>2</Issue><PubDate><Year>2019</Year><Month>Feb</Month></PubDate></JournalIssue><Title>Archiv der Pharmazie</Title><ISOAbbreviation>Arch Pharm (Weinheim)</ISOAbbreviation></Journal><ArticleTitle>Novel acyl thiourea derivatives: Synthesis, antifungal activity, gene toxicity, drug-like and molecular docking screening.</ArticleTitle><Pagination><MedlinePgn>e1800275</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1002/ardp.201800275</ELocationID><Abstract><AbstractText>Nine novel acyl thioureas were synthesized. Their identities and purities were confirmed by LC-MS spectra; each structure was elucidated by elemental analysis, IR, <sup>1</sup> Н and <sup>13</sup> C NMR spectra. Applying an in vitro screening of their antifungal potential, three substances (3, 5, and 6) could be selected as showing high activity against 11 fungi and 3 Phytophthora strains of phytopathogenic significance. Analysis of gene toxicity with the Salmonella reverse mutagenicity test, as an assessment of drug likeness, lipophilicity, and calculations of frontier molecular orbitals assign a low toxicity profile to these compounds. Molecular docking studies point to 14α-demethylase (CYP51) and N-myristoyltransferase (NMT) as possible fungal targets for growth inhibition. The findings are discussed with respect to structure-activity relationship (SAR).</AbstractText><CopyrightInformation>© 2018 Deutsche Pharmazeutische Gesellschaft.</CopyrightInformation></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Antypenko</LastName><ForeName>Lyudmyla</ForeName><Initials>L</Initials><Identifier Source="ORCID">https://orcid.org/0000-0003-0057-1551</Identifier><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Meyer</LastName><ForeName>Fatuma</ForeName><Initials>F</Initials><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Kholodniak</LastName><ForeName>Olena</ForeName><Initials>O</Initials><AffiliationInfo><Affiliation>Department of Organic and Bioorganic Chemistry, Zaporizhzhya State Medical University, Zaporizhzhya, Ukraine.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Sadykova</LastName><ForeName>Zhanar</ForeName><Initials>Z</Initials><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Jirásková</LastName><ForeName>Tereza</ForeName><Initials>T</Initials><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Troianova</LastName><ForeName>Anastasiia</ForeName><Initials>A</Initials><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Buhaiova</LastName><ForeName>Vladlena</ForeName><Initials>V</Initials><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Cao</LastName><ForeName>Surui</ForeName><Initials>S</Initials><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Kovalenko</LastName><ForeName>Sergiy</ForeName><Initials>S</Initials><Identifier Source="ORCID">https://orcid.org/0000-0001-8017-9108</Identifier><AffiliationInfo><Affiliation>Department of Organic and Bioorganic Chemistry, Zaporizhzhya State Medical University, Zaporizhzhya, Ukraine.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Garbe</LastName><ForeName>Leif-Alexander</ForeName><Initials>LA</Initials><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Steffens</LastName><ForeName>Karl G</ForeName><Initials>KG</Initials><AffiliationInfo><Affiliation>Faculty of Agriculture and Food Science, Neubrandenburg University, Neubrandenburg, Germany.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><GrantList CompleteYN="Y"><Grant><Agency>Enamine Ltd.</Agency><Country></Country></Grant><Grant><GrantID>FKZ 03FH025IX4</GrantID><Agency>German Federal Ministry of Education and Research</Agency><Country></Country></Grant></GrantList><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2018</Year><Month>12</Month><Day>27</Day></ArticleDate></Article><MedlineJournalInfo><Country>Germany</Country><MedlineTA>Arch Pharm (Weinheim)</MedlineTA><NlmUniqueID>0330167</NlmUniqueID><ISSNLinking>0365-6233</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D000935">Antifungal Agents</NameOfSubstance></Chemical><Chemical><RegistryNumber>GYV9AM2QAG</RegistryNumber><NameOfSubstance UI="D013890">Thiourea</NameOfSubstance></Chemical></ChemicalList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName UI="D000935" MajorTopicYN="N">Antifungal Agents</DescriptorName><QualifierName UI="Q000138" MajorTopicYN="N">chemical synthesis</QualifierName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName><QualifierName UI="Q000494" MajorTopicYN="Y">pharmacology</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D002853" MajorTopicYN="N">Chromatography, Liquid</DescriptorName><QualifierName UI="Q000379" MajorTopicYN="N">methods</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D009682" MajorTopicYN="N">Magnetic Resonance Spectroscopy</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013058" MajorTopicYN="N">Mass Spectrometry</DescriptorName><QualifierName UI="Q000379" MajorTopicYN="N">methods</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D062105" MajorTopicYN="Y">Molecular Docking Simulation</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D009152" MajorTopicYN="N">Mutagenicity Tests</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D012475" MajorTopicYN="N">Salmonella</DescriptorName><QualifierName UI="Q000187" MajorTopicYN="N">drug effects</QualifierName><QualifierName UI="Q000235" MajorTopicYN="N">genetics</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D013329" MajorTopicYN="N">Structure-Activity Relationship</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013890" MajorTopicYN="N">Thiourea</DescriptorName><QualifierName UI="Q000031" MajorTopicYN="N">analogs & derivatives</QualifierName><QualifierName UI="Q000138" MajorTopicYN="N">chemical synthesis</QualifierName><QualifierName UI="Q000494" MajorTopicYN="Y">pharmacology</QualifierName></MeshHeading></MeshHeadingList><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">N-(2-carbamothioylhydrazine-1-carbonothioyl)cyclopropanecarboxamide</Keyword><Keyword MajorTopicYN="N">N-substituted N-(hydrazinecarbonothioyl)-cyclopropanecarbox(benz)amides</Keyword><Keyword MajorTopicYN="N">anti-phytopathogens</Keyword><Keyword MajorTopicYN="N">drug likeness</Keyword><Keyword MajorTopicYN="N">gene toxicity</Keyword><Keyword MajorTopicYN="N">molecular docking</Keyword></KeywordList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2018</Year><Month>09</Month><Day>16</Day></PubMedPubDate><PubMedPubDate PubStatus="revised"><Year>2018</Year><Month>11</Month><Day>03</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2018</Year><Month>11</Month><Day>11</Day></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2018</Year><Month>12</Month><Day>28</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2019</Year><Month>5</Month><Day>6</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2018</Year><Month>12</Month><Day>28</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">30589110</ArticleId><ArticleId IdType="doi">10.1002/ardp.201800275</ArticleId></ArticleIdList></PubmedData></pubmed><affiliations><list><country><li>Allemagne</li><li>Ukraine</li></country></list><tree><country name="Allemagne"><noRegion><name sortKey="Antypenko, Lyudmyla" sort="Antypenko, Lyudmyla" uniqKey="Antypenko L" first="Lyudmyla" last="Antypenko">Lyudmyla Antypenko</name></noRegion><name sortKey="Buhaiova, Vladlena" sort="Buhaiova, Vladlena" uniqKey="Buhaiova V" first="Vladlena" last="Buhaiova">Vladlena Buhaiova</name><name sortKey="Cao, Surui" sort="Cao, Surui" uniqKey="Cao S" first="Surui" last="Cao">Surui Cao</name><name sortKey="Garbe, Leif Alexander" sort="Garbe, Leif Alexander" uniqKey="Garbe L" first="Leif-Alexander" last="Garbe">Leif-Alexander Garbe</name><name sortKey="Jiraskova, Tereza" sort="Jiraskova, Tereza" uniqKey="Jiraskova T" first="Tereza" last="Jirásková">Tereza Jirásková</name><name sortKey="Meyer, Fatuma" sort="Meyer, Fatuma" uniqKey="Meyer F" first="Fatuma" last="Meyer">Fatuma Meyer</name><name sortKey="Sadykova, Zhanar" sort="Sadykova, Zhanar" uniqKey="Sadykova Z" first="Zhanar" last="Sadykova">Zhanar Sadykova</name><name sortKey="Steffens, Karl G" sort="Steffens, Karl G" uniqKey="Steffens K" first="Karl G" last="Steffens">Karl G. Steffens</name><name sortKey="Troianova, Anastasiia" sort="Troianova, Anastasiia" uniqKey="Troianova A" first="Anastasiia" last="Troianova">Anastasiia Troianova</name></country><country name="Ukraine"><noRegion><name sortKey="Kholodniak, Olena" sort="Kholodniak, Olena" uniqKey="Kholodniak O" first="Olena" last="Kholodniak">Olena Kholodniak</name></noRegion><name sortKey="Kovalenko, Sergiy" sort="Kovalenko, Sergiy" uniqKey="Kovalenko S" first="Sergiy" last="Kovalenko">Sergiy Kovalenko</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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