Molecular docking studies of some selected gallic acid derivatives against five non-structural proteins of novel coronavirus.
Identifieur interne : 000331 ( Main/Exploration ); précédent : 000330; suivant : 000332Molecular docking studies of some selected gallic acid derivatives against five non-structural proteins of novel coronavirus.
Auteurs : Haruna Isiyaku Umar [Nigeria, Inde] ; Bushra Siraj [Inde, Pakistan] ; Adeola Ajayi [Nigeria] ; Tajudeen O. Jimoh [Thaïlande, Ouganda] ; Prosper Obed Chukwuemeka [Nigeria]Source :
- Journal, genetic engineering & biotechnology [ 2090-5920 ] ; 2021.
Abstract
BACKGROUND
The World Health Organization has recently declared a new coronavirus disease (COVID-19) a pandemic and a global health emergency. The pressure to produce drugs and vaccines against the ongoing pandemic has resulted in the use of some drugs such as azithromycin, chloroquine (sulfate and phosphate), hydroxychloroquine, dexamethasone, favipiravir, remdesivir, ribavirin, ivermectin, and lopinavir/ritonavir. However, reports from some of the clinical trials with these drugs have proved detrimental on some COVID-19 infected patients with side effects more of which cardiomyopathy, cardiotoxicity, nephrotoxicity, macular retinopathy, and hepatotoxicity have been recently reported. Realizing the need for potent and harmless therapeutic compounds to combat COVID-19, we attempted in this study to find promising therapeutic compounds against the imminent threat of this virus. In this current study, 16 derivatives of gallic acid were docked against five selected non-structural proteins of SARS-COV-2 known to be a good target for finding small molecule inhibitors against the virus, namely, nsp3, nsp5, nsp12, nsp13, and nsp14. All the protein crystal structures and 3D structures of the small molecules (16 gallic acid derivatives and 3 control drugs) were retrieved from the Protein database (PDB) and PubChem server respectively. The compounds with lower binding energy than the control drugs were selected and subjected to pharmacokinetics screening using AdmetSAR server.
RESULTS
4-O-(6-galloylglucoside) gave binding energy values of - 8.4, - 6.8, - 8.9, - 9.1, and - 7.5 kcal/mol against Mpro, nsp3, nsp12, nsp13, and nsp15 respectively. Based on the ADMET profile, 4-O-(6-galloylglucoside) was found to be metabolized by the liver and has a very high plasma protein binding.
CONCLUSION
The result of this study revealed that 4-O-(6-galloylglucoside) could be a promising inhibitor against these SAR-Cov-2 proteins. However, there is still a need for further molecular dynamic simulation, in vivo and in vitro studies to support these findings.
DOI: 10.1186/s43141-021-00120-7
PubMed: 33492492
PubMed Central: PMC7829640
Affiliations:
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Ltd., Delhi, 110085, India. ariwajoye3@gmail.com.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Ioncure Tech Pvt. Ltd., Delhi, 110085</wicri:regionArea><wicri:noRegion>110085</wicri:noRegion></affiliation></author><author><name sortKey="Siraj, Bushra" sort="Siraj, Bushra" uniqKey="Siraj B" first="Bushra" last="Siraj">Bushra Siraj</name><affiliation wicri:level="1"><nlm:affiliation>Ioncure Tech Pvt. Ltd., Delhi, 110085, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Ioncure Tech Pvt. Ltd., Delhi, 110085</wicri:regionArea><wicri:noRegion>110085</wicri:noRegion></affiliation><affiliation wicri:level="1"><nlm:affiliation>Dr. Zafar H. Zaidi Center for Proteomics, University of Karachi, Karachi, Pakistan.</nlm:affiliation><country xml:lang="fr">Pakistan</country><wicri:regionArea>Dr. Zafar H. Zaidi Center for Proteomics, University of Karachi, Karachi</wicri:regionArea><wicri:noRegion>Karachi</wicri:noRegion></affiliation></author><author><name sortKey="Ajayi, Adeola" sort="Ajayi, Adeola" uniqKey="Ajayi A" first="Adeola" last="Ajayi">Adeola Ajayi</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry, School of Sciences, Federal University of Technology, Along Owo-Ilesha Express Way, P.M.B. 704, Akure, Ondo State, Nigeria.</nlm:affiliation><country xml:lang="fr">Nigeria</country><wicri:regionArea>Department of Biochemistry, School of Sciences, Federal University of Technology, Along Owo-Ilesha Express Way, P.M.B. 704, Akure, Ondo State</wicri:regionArea><wicri:noRegion>Ondo State</wicri:noRegion></affiliation></author><author><name sortKey="Jimoh, Tajudeen O" sort="Jimoh, Tajudeen O" uniqKey="Jimoh T" first="Tajudeen O" last="Jimoh">Tajudeen O. Jimoh</name><affiliation wicri:level="1"><nlm:affiliation>Faculty of Pharmaceutical Sciences, Department of Pharmacognosy and Pharmaceutical Botany, Chulalongkorn University, Bangkok, Thailand.</nlm:affiliation><country xml:lang="fr">Thaïlande</country><wicri:regionArea>Faculty of Pharmaceutical Sciences, Department of Pharmacognosy and Pharmaceutical Botany, Chulalongkorn University, Bangkok</wicri:regionArea><wicri:noRegion>Bangkok</wicri:noRegion></affiliation><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry, Habib Medical School, Islamic University in Uganda, P. O. Box 7689, Kampala, Uganda.</nlm:affiliation><country xml:lang="fr">Ouganda</country><wicri:regionArea>Department of Biochemistry, Habib Medical School, Islamic University in Uganda, P. O. Box 7689, Kampala</wicri:regionArea><wicri:noRegion>Kampala</wicri:noRegion></affiliation></author><author><name sortKey="Chukwuemeka, Prosper Obed" sort="Chukwuemeka, Prosper Obed" uniqKey="Chukwuemeka P" first="Prosper Obed" last="Chukwuemeka">Prosper Obed Chukwuemeka</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biotechnology, School of sciences, Federal University of Technology, Akure, Ondo State, Nigeria.</nlm:affiliation><country xml:lang="fr">Nigeria</country><wicri:regionArea>Department of Biotechnology, School of sciences, Federal University of Technology, Akure, Ondo State</wicri:regionArea><wicri:noRegion>Ondo State</wicri:noRegion></affiliation></author></analytic><series><title level="j">Journal, genetic engineering & biotechnology</title><idno type="eISSN">2090-5920</idno><imprint><date when="2021" type="published">2021</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p><b>BACKGROUND</b></p><p>The World Health Organization has recently declared a new coronavirus disease (COVID-19) a pandemic and a global health emergency. The pressure to produce drugs and vaccines against the ongoing pandemic has resulted in the use of some drugs such as azithromycin, chloroquine (sulfate and phosphate), hydroxychloroquine, dexamethasone, favipiravir, remdesivir, ribavirin, ivermectin, and lopinavir/ritonavir. However, reports from some of the clinical trials with these drugs have proved detrimental on some COVID-19 infected patients with side effects more of which cardiomyopathy, cardiotoxicity, nephrotoxicity, macular retinopathy, and hepatotoxicity have been recently reported. Realizing the need for potent and harmless therapeutic compounds to combat COVID-19, we attempted in this study to find promising therapeutic compounds against the imminent threat of this virus. In this current study, 16 derivatives of gallic acid were docked against five selected non-structural proteins of SARS-COV-2 known to be a good target for finding small molecule inhibitors against the virus, namely, nsp3, nsp5, nsp12, nsp13, and nsp14. All the protein crystal structures and 3D structures of the small molecules (16 gallic acid derivatives and 3 control drugs) were retrieved from the Protein database (PDB) and PubChem server respectively. The compounds with lower binding energy than the control drugs were selected and subjected to pharmacokinetics screening using AdmetSAR server.</p></div><div type="abstract" xml:lang="en"><p><b>RESULTS</b></p><p>4-O-(6-galloylglucoside) gave binding energy values of - 8.4, - 6.8, - 8.9, - 9.1, and - 7.5 kcal/mol against Mpro, nsp3, nsp12, nsp13, and nsp15 respectively. Based on the ADMET profile, 4-O-(6-galloylglucoside) was found to be metabolized by the liver and has a very high plasma protein binding.</p></div><div type="abstract" xml:lang="en"><p><b>CONCLUSION</b></p><p>The result of this study revealed that 4-O-(6-galloylglucoside) could be a promising inhibitor against these SAR-Cov-2 proteins. However, there is still a need for further molecular dynamic simulation, in vivo and in vitro studies to support these findings.</p></div></front></TEI><pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">33492492</PMID><DateRevised><Year>2021</Year><Month>01</Month><Day>29</Day></DateRevised><Article PubModel="Electronic"><Journal><ISSN IssnType="Electronic">2090-5920</ISSN><JournalIssue CitedMedium="Internet"><Volume>19</Volume><Issue>1</Issue><PubDate><Year>2021</Year><Month>Jan</Month><Day>25</Day></PubDate></JournalIssue><Title>Journal, genetic engineering & biotechnology</Title><ISOAbbreviation>J Genet Eng Biotechnol</ISOAbbreviation></Journal><ArticleTitle>Molecular docking studies of some selected gallic acid derivatives against five non-structural proteins of novel coronavirus.</ArticleTitle><Pagination><MedlinePgn>16</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1186/s43141-021-00120-7</ELocationID><Abstract><AbstractText Label="BACKGROUND" NlmCategory="BACKGROUND">The World Health Organization has recently declared a new coronavirus disease (COVID-19) a pandemic and a global health emergency. The pressure to produce drugs and vaccines against the ongoing pandemic has resulted in the use of some drugs such as azithromycin, chloroquine (sulfate and phosphate), hydroxychloroquine, dexamethasone, favipiravir, remdesivir, ribavirin, ivermectin, and lopinavir/ritonavir. However, reports from some of the clinical trials with these drugs have proved detrimental on some COVID-19 infected patients with side effects more of which cardiomyopathy, cardiotoxicity, nephrotoxicity, macular retinopathy, and hepatotoxicity have been recently reported. Realizing the need for potent and harmless therapeutic compounds to combat COVID-19, we attempted in this study to find promising therapeutic compounds against the imminent threat of this virus. In this current study, 16 derivatives of gallic acid were docked against five selected non-structural proteins of SARS-COV-2 known to be a good target for finding small molecule inhibitors against the virus, namely, nsp3, nsp5, nsp12, nsp13, and nsp14. All the protein crystal structures and 3D structures of the small molecules (16 gallic acid derivatives and 3 control drugs) were retrieved from the Protein database (PDB) and PubChem server respectively. The compounds with lower binding energy than the control drugs were selected and subjected to pharmacokinetics screening using AdmetSAR server.</AbstractText><AbstractText Label="RESULTS" NlmCategory="RESULTS">4-O-(6-galloylglucoside) gave binding energy values of - 8.4, - 6.8, - 8.9, - 9.1, and - 7.5 kcal/mol against Mpro, nsp3, nsp12, nsp13, and nsp15 respectively. Based on the ADMET profile, 4-O-(6-galloylglucoside) was found to be metabolized by the liver and has a very high plasma protein binding.</AbstractText><AbstractText Label="CONCLUSION" NlmCategory="CONCLUSIONS">The result of this study revealed that 4-O-(6-galloylglucoside) could be a promising inhibitor against these SAR-Cov-2 proteins. However, there is still a need for further molecular dynamic simulation, in vivo and in vitro studies to support these findings.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Umar</LastName><ForeName>Haruna Isiyaku</ForeName><Initials>HI</Initials><Identifier Source="ORCID">http://orcid.org/0000-0001-9427-9804</Identifier><AffiliationInfo><Affiliation>Department of Biochemistry, School of Sciences, Federal University of Technology, Along Owo-Ilesha Express Way, P.M.B. 704, Akure, Ondo State, Nigeria. ariwajoye3@gmail.com.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Ioncure Tech Pvt. Ltd., Delhi, 110085, India. ariwajoye3@gmail.com.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Siraj</LastName><ForeName>Bushra</ForeName><Initials>B</Initials><AffiliationInfo><Affiliation>Ioncure Tech Pvt. Ltd., Delhi, 110085, India.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Dr. Zafar H. Zaidi Center for Proteomics, University of Karachi, Karachi, Pakistan.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Ajayi</LastName><ForeName>Adeola</ForeName><Initials>A</Initials><AffiliationInfo><Affiliation>Department of Biochemistry, School of Sciences, Federal University of Technology, Along Owo-Ilesha Express Way, P.M.B. 704, Akure, Ondo State, Nigeria.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Jimoh</LastName><ForeName>Tajudeen O</ForeName><Initials>TO</Initials><AffiliationInfo><Affiliation>Faculty of Pharmaceutical Sciences, Department of Pharmacognosy and Pharmaceutical Botany, Chulalongkorn University, Bangkok, Thailand.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Department of Biochemistry, Habib Medical School, Islamic University in Uganda, P. O. Box 7689, Kampala, Uganda.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Chukwuemeka</LastName><ForeName>Prosper Obed</ForeName><Initials>PO</Initials><Identifier Source="ORCID">https://orcid.org/0000-0001-8381-2802</Identifier><AffiliationInfo><Affiliation>Department of Biotechnology, School of sciences, Federal University of Technology, Akure, Ondo State, Nigeria.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2021</Year><Month>01</Month><Day>25</Day></ArticleDate></Article><MedlineJournalInfo><Country>Netherlands</Country><MedlineTA>J Genet Eng Biotechnol</MedlineTA><NlmUniqueID>101317150</NlmUniqueID><ISSNLinking>1687-157X</ISSNLinking></MedlineJournalInfo><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">Binding energy</Keyword><Keyword MajorTopicYN="N">Druglikeness</Keyword><Keyword MajorTopicYN="N">Gallic acid derivatives</Keyword><Keyword MajorTopicYN="N">In silico</Keyword><Keyword MajorTopicYN="N">Molecular docking</Keyword><Keyword MajorTopicYN="N">Molecular interactions</Keyword><Keyword MajorTopicYN="N">Non-structural proteins</Keyword><Keyword MajorTopicYN="N">Novel coronavirus</Keyword><Keyword MajorTopicYN="N">SARS-COV-2</Keyword></KeywordList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2020</Year><Month>10</Month><Day>31</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2021</Year><Month>01</Month><Day>12</Day></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2021</Year><Month>1</Month><Day>25</Day><Hour>12</Hour><Minute>16</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2021</Year><Month>1</Month><Day>26</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate 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20;26(9):242</Citation><ArticleIdList><ArticleId IdType="pubmed">32816149</ArticleId></ArticleIdList></Reference><Reference><Citation>Adv Ther. 2020 Jun;37(6):2575-2579</Citation><ArticleIdList><ArticleId IdType="pubmed">32350686</ArticleId></ArticleIdList></Reference><Reference><Citation>Nature. 2020 Nov;587(7835):657-662</Citation><ArticleIdList><ArticleId IdType="pubmed">32726803</ArticleId></ArticleIdList></Reference><Reference><Citation>Science. 2020 May 15;368(6492):779-782</Citation><ArticleIdList><ArticleId IdType="pubmed">32277040</ArticleId></ArticleIdList></Reference><Reference><Citation>Food Chem Toxicol. 2020 Oct;144:111639</Citation><ArticleIdList><ArticleId IdType="pubmed">32707160</ArticleId></ArticleIdList></Reference><Reference><Citation>Iran J Basic Med Sci. 2019 Mar;22(3):225-237</Citation><ArticleIdList><ArticleId IdType="pubmed">31156781</ArticleId></ArticleIdList></Reference><Reference><Citation>J Biomol Struct Dyn. 2020 Aug 7;:1-11</Citation><ArticleIdList><ArticleId IdType="pubmed">32762537</ArticleId></ArticleIdList></Reference><Reference><Citation>Pharmacol Res. 2020 Jul;157:104859</Citation><ArticleIdList><ArticleId IdType="pubmed">32360480</ArticleId></ArticleIdList></Reference><Reference><Citation>Nature. 2020 Jun;582(7811):289-293</Citation><ArticleIdList><ArticleId IdType="pubmed">32272481</ArticleId></ArticleIdList></Reference><Reference><Citation>Pharm Pat Anal. 2015;4(4):305-15</Citation><ArticleIdList><ArticleId IdType="pubmed">26174568</ArticleId></ArticleIdList></Reference><Reference><Citation>J Chem Inf Model. 2012 Nov 26;52(11):3099-105</Citation><ArticleIdList><ArticleId IdType="pubmed">23092397</ArticleId></ArticleIdList></Reference><Reference><Citation>Interdiscip Sci. 2020 Sep;12(3):335-348</Citation><ArticleIdList><ArticleId IdType="pubmed">32617855</ArticleId></ArticleIdList></Reference><Reference><Citation>J Biomol Struct Dyn. 2020 Jul 22;:1-14</Citation><ArticleIdList><ArticleId IdType="pubmed">32698693</ArticleId></ArticleIdList></Reference><Reference><Citation>Nucleic Acids Res. 2015 Jul 1;43(W1):W443-7</Citation><ArticleIdList><ArticleId IdType="pubmed">25873628</ArticleId></ArticleIdList></Reference><Reference><Citation>Cell. 2020 Sep 17;182(6):1560-1573.e13</Citation><ArticleIdList><ArticleId IdType="pubmed">32783916</ArticleId></ArticleIdList></Reference><Reference><Citation>Sci Rep. 2019 Feb 11;9(1):1778</Citation><ArticleIdList><ArticleId IdType="pubmed">30741976</ArticleId></ArticleIdList></Reference><Reference><Citation>Biosaf Health. 2020 Dec;2(4):210-216</Citation><ArticleIdList><ArticleId IdType="pubmed">32838282</ArticleId></ArticleIdList></Reference><Reference><Citation>Am J Cardiol. 2020 Aug 1;128:147-150</Citation><ArticleIdList><ArticleId IdType="pubmed">32425199</ArticleId></ArticleIdList></Reference><Reference><Citation>Protein J. 2020 Jun;39(3):198-216</Citation><ArticleIdList><ArticleId IdType="pubmed">32447571</ArticleId></ArticleIdList></Reference><Reference><Citation>Chin Med. 2018 Jun 19;13:33</Citation><ArticleIdList><ArticleId IdType="pubmed">29946351</ArticleId></ArticleIdList></Reference><Reference><Citation>Sci Rep. 2017 Mar 03;7:42717</Citation><ArticleIdList><ArticleId IdType="pubmed">28256516</ArticleId></ArticleIdList></Reference><Reference><Citation>J Comput Chem. 2010 Jan 30;31(2):455-61</Citation><ArticleIdList><ArticleId IdType="pubmed">19499576</ArticleId></ArticleIdList></Reference><Reference><Citation>Eur J Med Chem. 2020 Oct 15;204:112609</Citation><ArticleIdList><ArticleId IdType="pubmed">32731188</ArticleId></ArticleIdList></Reference></ReferenceList></PubmedData></pubmed><affiliations><list><country><li>Inde</li><li>Nigeria</li><li>Ouganda</li><li>Pakistan</li><li>Thaïlande</li></country></list><tree><country name="Nigeria"><noRegion><name sortKey="Umar, Haruna Isiyaku" sort="Umar, Haruna Isiyaku" uniqKey="Umar H" first="Haruna Isiyaku" 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|texte= Molecular docking studies of some selected gallic acid derivatives against five non-structural proteins of novel coronavirus.
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