In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel.
Identifieur interne : 000A56 ( 2020/Analysis ); précédent : 000A55; suivant : 000A57In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel.
Auteurs : Manoj Kumar Gupta [Inde] ; Sarojamma Vemula [Inde] ; Ravindra Donde [Inde] ; Gayatri Gouda [Inde] ; Lambodar Behera [Inde] ; Ramakrishna Vadde [Inde]Source :
- Journal of biomolecular structure & dynamics [ 1538-0254 ] ; 2020.
Abstract
Recent outbreak of Coronavirus disease (COVID-19) pandemic around the world is associated with 'severe acute respiratory syndrome' (SARS-CoV2) in humans. SARS-CoV2 is an enveloped virus and E proteins present in them are reported to form ion channels, which is mainly associated with pathogenesis. Thus, there is always a quest to inhibit these ion channels, which in turn may help in controlling diseases caused by SARS-CoV2 in humans. Considering this, in the present study, authors employed computational approaches for studying the structure as well as function of the human 'SARS-CoV2 E' protein as well as its interaction with various phytochemicals. Result obtained revealed that α-helix and loops present in this protein experience random movement under optimal condition, which in turn modulate ion channel activity; thereby aiding the pathogenesis caused via SARS-CoV2 in human and other vertebrates. However, after binding with Belachinal, Macaflavanone E, and Vibsanol B, the random motion of the human 'SARS-CoV2 E' protein gets reduced, this, in turn, inhibits the function of the 'SARS-CoV2 E' protein. It is pertinent to note that two amino acids, namely VAL25 and PHE26, play a key role while interacting with these three phytochemicals. As these three phytochemicals, namely, Belachinal, Macaflavanone E & Vibsanol B, have passed the ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) property as well as 'Lipinski's Rule of 5s', they may be utilized as drugs in controlling disease caused via SARS-COV2, after further investigation.Communicated by Ramaswamy H. Sarma.
DOI: 10.1080/07391102.2020.1751300
PubMed: 32238078
Affiliations:
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sortKey="Vadde, Ramakrishna" sort="Vadde, Ramakrishna" uniqKey="Vadde R" first="Ramakrishna" last="Vadde">Ramakrishna Vadde</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biotechnology & Bioinformatics, Yogi Vemana University, Kadapa, Andhra Pradesh, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Department of Biotechnology & Bioinformatics, Yogi Vemana University, Kadapa, Andhra Pradesh</wicri:regionArea><wicri:noRegion>Andhra Pradesh</wicri:noRegion></affiliation></author></analytic><series><title level="j">Journal of biomolecular structure & dynamics</title><idno type="eISSN">1538-0254</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">Recent outbreak of Coronavirus disease (COVID-19) pandemic around the world is associated with 'severe acute respiratory syndrome' (SARS-CoV2) in humans. 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It is pertinent to note that two amino acids, namely VAL25 and PHE26, play a key role while interacting with these three phytochemicals. As these three phytochemicals, namely, Belachinal, Macaflavanone E & Vibsanol B, have passed the ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) property as well as 'Lipinski's Rule of 5s', they may be utilized as drugs in controlling disease caused via SARS-COV2, after further investigation.Communicated by Ramaswamy H. Sarma.</div></front></TEI><affiliations><list><country><li>Inde</li></country></list><tree><country name="Inde"><noRegion><name sortKey="Gupta, Manoj Kumar" sort="Gupta, Manoj Kumar" uniqKey="Gupta M" first="Manoj Kumar" last="Gupta">Manoj Kumar Gupta</name></noRegion><name sortKey="Behera, Lambodar" sort="Behera, Lambodar" uniqKey="Behera L" first="Lambodar" last="Behera">Lambodar Behera</name><name sortKey="Donde, Ravindra" sort="Donde, Ravindra" uniqKey="Donde R" first="Ravindra" last="Donde">Ravindra Donde</name><name sortKey="Gouda, Gayatri" sort="Gouda, Gayatri" uniqKey="Gouda G" first="Gayatri" last="Gouda">Gayatri Gouda</name><name sortKey="Vadde, Ramakrishna" sort="Vadde, Ramakrishna" uniqKey="Vadde R" first="Ramakrishna" last="Vadde">Ramakrishna Vadde</name><name sortKey="Vemula, Sarojamma" sort="Vemula, Sarojamma" uniqKey="Vemula S" first="Sarojamma" last="Vemula">Sarojamma Vemula</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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