Lead Molecule Prediction and Characterization for Designing MERS-CoV 3C-like Protease Inhibitors: An In silico Approach.
Identifieur interne : 000501 ( Main/Exploration ); précédent : 000500; suivant : 000502Lead Molecule Prediction and Characterization for Designing MERS-CoV 3C-like Protease Inhibitors: An In silico Approach.
Auteurs : Md Mostafijur Rahman [Bangladesh] ; Md Bayejid Hosen [Bangladesh] ; M Zakir Hossain Howlader [Bangladesh] ; Yearul Kabir [Bangladesh]Source :
- Current computer-aided drug design [ 1875-6697 ] ; 2019.
Descripteurs français
- KwdFr :
- MESH :
English descriptors
- KwdEn :
- MESH :
- chemical , chemistry : Protease Inhibitors.
- methods : Drug Evaluation, Preclinical.
- chemical , pharmacology : Protease Inhibitors.
- chemical , toxicity : Protease Inhibitors.
- Biological Availability, Computer Simulation, Drug Design, Molecular Docking Simulation, Solubility, Structure-Activity Relationship.
Abstract
3C-like protease also called the main protease is an essential enzyme for the completion of the life cycle of Middle East Respiratory Syndrome Coronavirus. In our study we predicted compounds which are capable of inhibiting 3C-like protease, and thus inhibit the lifecycle of Middle East Respiratory Syndrome Coronavirus using in silico methods.
DOI: 10.2174/1573409914666180629151906
PubMed: 29956635
Affiliations:
Links toward previous steps (curation, corpus...)
- to stream PubMed, to step Corpus: 000849
- to stream PubMed, to step Curation: 000849
- to stream PubMed, to step Checkpoint: 000496
- to stream Ncbi, to step Merge: 001E84
- to stream Ncbi, to step Curation: 001E84
- to stream Ncbi, to step Checkpoint: 001E84
- to stream Main, to step Merge: 000504
- to stream Main, to step Curation: 000501
Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Lead Molecule Prediction and Characterization for Designing MERS-CoV 3C-like Protease Inhibitors: An In silico Approach.</title><author><name sortKey="Rahman, Md Mostafijur" sort="Rahman, Md Mostafijur" uniqKey="Rahman M" first="Md Mostafijur" last="Rahman">Md Mostafijur Rahman</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh.</nlm:affiliation><country xml:lang="fr">Bangladesh</country><wicri:regionArea>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000</wicri:regionArea><wicri:noRegion>Dhaka-1000</wicri:noRegion></affiliation></author><author><name sortKey="Hosen, Md Bayejid" sort="Hosen, Md Bayejid" uniqKey="Hosen M" first="Md Bayejid" last="Hosen">Md Bayejid Hosen</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh.</nlm:affiliation><country xml:lang="fr">Bangladesh</country><wicri:regionArea>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000</wicri:regionArea><wicri:noRegion>Dhaka-1000</wicri:noRegion></affiliation></author><author><name sortKey="Howlader, M Zakir Hossain" sort="Howlader, M Zakir Hossain" uniqKey="Howlader M" first="M Zakir Hossain" last="Howlader">M Zakir Hossain Howlader</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh.</nlm:affiliation><country xml:lang="fr">Bangladesh</country><wicri:regionArea>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000</wicri:regionArea><wicri:noRegion>Dhaka-1000</wicri:noRegion></affiliation></author><author><name sortKey="Kabir, Yearul" sort="Kabir, Yearul" uniqKey="Kabir Y" first="Yearul" last="Kabir">Yearul Kabir</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh.</nlm:affiliation><country xml:lang="fr">Bangladesh</country><wicri:regionArea>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000</wicri:regionArea><wicri:noRegion>Dhaka-1000</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2019">2019</date><idno type="RBID">pubmed:29956635</idno><idno type="pmid">29956635</idno><idno type="doi">10.2174/1573409914666180629151906</idno><idno type="wicri:Area/PubMed/Corpus">000849</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">000849</idno><idno type="wicri:Area/PubMed/Curation">000849</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">000849</idno><idno type="wicri:Area/PubMed/Checkpoint">000496</idno><idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">000496</idno><idno type="wicri:Area/Ncbi/Merge">001E84</idno><idno type="wicri:Area/Ncbi/Curation">001E84</idno><idno type="wicri:Area/Ncbi/Checkpoint">001E84</idno><idno type="wicri:Area/Main/Merge">000504</idno><idno type="wicri:Area/Main/Curation">000501</idno><idno type="wicri:Area/Main/Exploration">000501</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Lead Molecule Prediction and Characterization for Designing MERS-CoV 3C-like Protease Inhibitors: An In silico Approach.</title><author><name sortKey="Rahman, Md Mostafijur" sort="Rahman, Md Mostafijur" uniqKey="Rahman M" first="Md Mostafijur" last="Rahman">Md Mostafijur Rahman</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh.</nlm:affiliation><country xml:lang="fr">Bangladesh</country><wicri:regionArea>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000</wicri:regionArea><wicri:noRegion>Dhaka-1000</wicri:noRegion></affiliation></author><author><name sortKey="Hosen, Md Bayejid" sort="Hosen, Md Bayejid" uniqKey="Hosen M" first="Md Bayejid" last="Hosen">Md Bayejid Hosen</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh.</nlm:affiliation><country xml:lang="fr">Bangladesh</country><wicri:regionArea>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000</wicri:regionArea><wicri:noRegion>Dhaka-1000</wicri:noRegion></affiliation></author><author><name sortKey="Howlader, M Zakir Hossain" sort="Howlader, M Zakir Hossain" uniqKey="Howlader M" first="M Zakir Hossain" last="Howlader">M Zakir Hossain Howlader</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh.</nlm:affiliation><country xml:lang="fr">Bangladesh</country><wicri:regionArea>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000</wicri:regionArea><wicri:noRegion>Dhaka-1000</wicri:noRegion></affiliation></author><author><name sortKey="Kabir, Yearul" sort="Kabir, Yearul" uniqKey="Kabir Y" first="Yearul" last="Kabir">Yearul Kabir</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh.</nlm:affiliation><country xml:lang="fr">Bangladesh</country><wicri:regionArea>Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000</wicri:regionArea><wicri:noRegion>Dhaka-1000</wicri:noRegion></affiliation></author></analytic><series><title level="j">Current computer-aided drug design</title><idno type="eISSN">1875-6697</idno><imprint><date when="2019" type="published">2019</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Biological Availability</term><term>Computer Simulation</term><term>Drug Design</term><term>Drug Evaluation, Preclinical (methods)</term><term>Molecular Docking Simulation</term><term>Protease Inhibitors (chemistry)</term><term>Protease Inhibitors (pharmacology)</term><term>Protease Inhibitors (toxicity)</term><term>Solubility</term><term>Structure-Activity Relationship</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Biodisponibilité</term><term>Conception de médicament</term><term>Inhibiteurs de protéases ()</term><term>Inhibiteurs de protéases (pharmacologie)</term><term>Inhibiteurs de protéases (toxicité)</term><term>Relation structure-activité</term><term>Simulation de docking moléculaire</term><term>Simulation numérique</term><term>Solubilité</term><term>Évaluation préclinique de médicament ()</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Protease Inhibitors</term></keywords><keywords scheme="MESH" qualifier="methods" xml:lang="en"><term>Drug Evaluation, Preclinical</term></keywords><keywords scheme="MESH" qualifier="pharmacologie" xml:lang="fr"><term>Inhibiteurs de protéases</term></keywords><keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Protease Inhibitors</term></keywords><keywords scheme="MESH" type="chemical" qualifier="toxicity" xml:lang="en"><term>Protease Inhibitors</term></keywords><keywords scheme="MESH" qualifier="toxicité" xml:lang="fr"><term>Inhibiteurs de protéases</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Biological Availability</term><term>Computer Simulation</term><term>Drug Design</term><term>Molecular Docking Simulation</term><term>Solubility</term><term>Structure-Activity Relationship</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Biodisponibilité</term><term>Conception de médicament</term><term>Inhibiteurs de protéases</term><term>Relation structure-activité</term><term>Simulation de docking moléculaire</term><term>Simulation numérique</term><term>Solubilité</term><term>Évaluation préclinique de médicament</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">3C-like protease also called the main protease is an essential enzyme for the completion of the life cycle of Middle East Respiratory Syndrome Coronavirus. In our study we predicted compounds which are capable of inhibiting 3C-like protease, and thus inhibit the lifecycle of Middle East Respiratory Syndrome Coronavirus using in silico methods.</div></front></TEI><affiliations><list><country><li>Bangladesh</li></country></list><tree><country name="Bangladesh"><noRegion><name sortKey="Rahman, Md Mostafijur" sort="Rahman, Md Mostafijur" uniqKey="Rahman M" first="Md Mostafijur" last="Rahman">Md Mostafijur Rahman</name></noRegion><name sortKey="Hosen, Md Bayejid" sort="Hosen, Md Bayejid" uniqKey="Hosen M" first="Md Bayejid" last="Hosen">Md Bayejid Hosen</name><name sortKey="Howlader, M Zakir Hossain" sort="Howlader, M Zakir Hossain" uniqKey="Howlader M" first="M Zakir Hossain" last="Howlader">M Zakir Hossain Howlader</name><name sortKey="Kabir, Yearul" sort="Kabir, Yearul" uniqKey="Kabir Y" first="Yearul" last="Kabir">Yearul Kabir</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Sante/explor/MersV1/Data/Main/Exploration
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000501 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 000501 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Sante
|area= MersV1
|flux= Main
|étape= Exploration
|type= RBID
|clé= pubmed:29956635
|texte= Lead Molecule Prediction and Characterization for Designing MERS-CoV 3C-like Protease Inhibitors: An In silico Approach.
}}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/Main/Exploration/RBID.i -Sk "pubmed:29956635" \
| HfdSelect -Kh $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd \
| NlmPubMed2Wicri -a MersV1
| This area was generated with Dilib version V0.6.33. |  |