In silico studies on therapeutic agents for COVID-19: Drug repurposing approach.
Identifieur interne : 000218 ( PubMed/Curation ); précédent : 000217; suivant : 000219In silico studies on therapeutic agents for COVID-19: Drug repurposing approach.
Auteurs : Bhumi Shah [Inde] ; Palmi Modi [Inde] ; Sneha R. Sagar [Inde]Source :
- Life sciences [ 1879-0631 ] ; 2020.
Abstract
The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high contagious nature. Precautionary measures remain the sole obliging tactic to cease the person to person transmissions till any effective method of treatment or vaccine is developed. Amidst the pandemic, research and development of new molecule is labour-intensive and tedious process. Drug repurposing is the concept of identifying therapeutically potent molecule from the library of pre-existing molecules.
DOI: 10.1016/j.lfs.2020.117652
PubMed: 32278693
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Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India; Registered Research Scholar K B Institute of Pharmaceutical Education and Research, Gandhinagar, Gujarat 382023</wicri:regionArea></affiliation></author><author><name sortKey="Modi, Palmi" sort="Modi, Palmi" uniqKey="Modi P" first="Palmi" last="Modi">Palmi Modi</name><affiliation wicri:level="1"><nlm:affiliation>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210</wicri:regionArea></affiliation></author><author><name sortKey="Sagar, Sneha R" sort="Sagar, Sneha R" uniqKey="Sagar S" first="Sneha R" last="Sagar">Sneha R. Sagar</name><affiliation wicri:level="1"><nlm:affiliation>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2020">2020</date><idno type="RBID">pubmed:32278693</idno><idno type="pmid">32278693</idno><idno type="doi">10.1016/j.lfs.2020.117652</idno><idno type="wicri:Area/PubMed/Corpus">000218</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">000218</idno><idno type="wicri:Area/PubMed/Curation">000218</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">000218</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">In silico studies on therapeutic agents for COVID-19: Drug repurposing approach.</title><author><name sortKey="Shah, Bhumi" sort="Shah, Bhumi" uniqKey="Shah B" first="Bhumi" last="Shah">Bhumi Shah</name><affiliation wicri:level="1"><nlm:affiliation>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India; Registered Research Scholar K B Institute of Pharmaceutical Education and Research, Gandhinagar, Gujarat 382023, India. Electronic address: bhumi.shah_ljip@ljinstitutes.edu.in.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India; Registered Research Scholar K B Institute of Pharmaceutical Education and Research, Gandhinagar, Gujarat 382023</wicri:regionArea></affiliation></author><author><name sortKey="Modi, Palmi" sort="Modi, Palmi" uniqKey="Modi P" first="Palmi" last="Modi">Palmi Modi</name><affiliation wicri:level="1"><nlm:affiliation>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210</wicri:regionArea></affiliation></author><author><name sortKey="Sagar, Sneha R" sort="Sagar, Sneha R" uniqKey="Sagar S" first="Sneha R" last="Sagar">Sneha R. Sagar</name><affiliation wicri:level="1"><nlm:affiliation>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210</wicri:regionArea></affiliation></author></analytic><series><title level="j">Life sciences</title><idno type="eISSN">1879-0631</idno><imprint><date when="2020" type="published">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high contagious nature. Precautionary measures remain the sole obliging tactic to cease the person to person transmissions till any effective method of treatment or vaccine is developed. Amidst the pandemic, research and development of new molecule is labour-intensive and tedious process. Drug repurposing is the concept of identifying therapeutically potent molecule from the library of pre-existing molecules.</div></front></TEI><pubmed><MedlineCitation Status="Publisher" Owner="NLM"><PMID Version="1">32278693</PMID><DateRevised><Year>2020</Year><Month>04</Month><Day>20</Day></DateRevised><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1879-0631</ISSN><JournalIssue CitedMedium="Internet"><Volume>252</Volume><PubDate><Year>2020</Year><Month>Apr</Month><Day>09</Day></PubDate></JournalIssue><Title>Life sciences</Title><ISOAbbreviation>Life Sci.</ISOAbbreviation></Journal><ArticleTitle>In silico studies on therapeutic agents for COVID-19: Drug repurposing approach.</ArticleTitle><Pagination><MedlinePgn>117652</MedlinePgn></Pagination><ELocationID EIdType="pii" ValidYN="Y">S0024-3205(20)30400-8</ELocationID><ELocationID EIdType="doi" ValidYN="Y">10.1016/j.lfs.2020.117652</ELocationID><Abstract><AbstractText Label="AIMS" NlmCategory="OBJECTIVE">The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has become the current health concern to the entire world. Initially appeared in Wuhan, China around December 2019, it had spread to almost 187 countries due to its high contagious nature. Precautionary measures remain the sole obliging tactic to cease the person to person transmissions till any effective method of treatment or vaccine is developed. Amidst the pandemic, research and development of new molecule is labour-intensive and tedious process. Drug repurposing is the concept of identifying therapeutically potent molecule from the library of pre-existing molecules.</AbstractText><AbstractText Label="MATERIALS AND METHODS" NlmCategory="METHODS">In the present study, 61 molecules that are already being used in clinics or under clinical scrutiny as antiviral agents are surveyed via docking study. Docking study was performed using Maestro interface (Schrödinger Suite, LLC, NY).</AbstractText><AbstractText Label="KEY FINDINGS" NlmCategory="RESULTS">Out of these 61 molecules, 37 molecules were found to interact with >2 protein structures of COVID-19. The docking results indicate that amongst the reported molecules, HIV protease inhibitors and RNA-dependent RNA polymerase inhibitors showed promising features of binding to COVID-19 enzyme. Along with these, Methisazone an inhibitor of protein synthesis, CGP42112A an angiotensin AT2 receptor agonist and ABT450 an inhibitor of the non-structural protein 3-4A might become convenient treatment option as well against COVID-19.</AbstractText><AbstractText Label="SIGNIFICANCE" NlmCategory="CONCLUSIONS">The drug repurposing approach provide an insight about the therapeutics that might be helpful in treating corona virus disease.</AbstractText><CopyrightInformation>Copyright © 2020 Elsevier Inc. All rights reserved.</CopyrightInformation></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Shah</LastName><ForeName>Bhumi</ForeName><Initials>B</Initials><AffiliationInfo><Affiliation>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India; Registered Research Scholar K B Institute of Pharmaceutical Education and Research, Gandhinagar, Gujarat 382023, India. Electronic address: bhumi.shah_ljip@ljinstitutes.edu.in.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Modi</LastName><ForeName>Palmi</ForeName><Initials>P</Initials><AffiliationInfo><Affiliation>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Sagar</LastName><ForeName>Sneha R</ForeName><Initials>SR</Initials><AffiliationInfo><Affiliation>L. J. Institute of Pharmacy, S. G. Highway, Sanand Circle, Sarkhej, Ahmedabad, Gujarat 382210, India.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2020</Year><Month>04</Month><Day>09</Day></ArticleDate></Article><MedlineJournalInfo><Country>Netherlands</Country><MedlineTA>Life Sci</MedlineTA><NlmUniqueID>0375521</NlmUniqueID><ISSNLinking>0024-3205</ISSNLinking></MedlineJournalInfo><CitationSubset>IM</CitationSubset><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">Antiviral drugs</Keyword><Keyword MajorTopicYN="N">COVID-19</Keyword><Keyword MajorTopicYN="N">Corona virus</Keyword><Keyword MajorTopicYN="N">Docking studies</Keyword><Keyword MajorTopicYN="N">MERS-CoV</Keyword><Keyword MajorTopicYN="N">SARS-CoV-2</Keyword></KeywordList><CoiStatement>Declaration of competing interest The authors state no conflict of interest.</CoiStatement></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2020</Year><Month>03</Month><Day>24</Day></PubMedPubDate><PubMedPubDate PubStatus="revised"><Year>2020</Year><Month>04</Month><Day>05</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2020</Year><Month>04</Month><Day>06</Day></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2020</Year><Month>4</Month><Day>13</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2020</Year><Month>4</Month><Day>13</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2020</Year><Month>4</Month><Day>13</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>aheadofprint</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">32278693</ArticleId><ArticleId IdType="pii">S0024-3205(20)30400-8</ArticleId><ArticleId IdType="doi">10.1016/j.lfs.2020.117652</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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