Molecular mechanism of anti-SARS-CoV2 activity of Ashwagandha-derived withanolides.

A549 Cells Antiviral Agents / chemistry Cell Line Cell Survival / drug effects Computer Simulation Down-Regulation Gene Expression Regulation / drug effects Humans MCF-7 Cells Models, Molecular Molecular Dynamics Simulation Plant Extracts / chemistry Protein Conformation SARS-CoV-2 / drug effects Serine Endopeptidases / chemistry Viral Matrix Proteins / chemistry Virus Internalization / drug effects Withanolides / chemistry
COVID-19 Main protease (M(pro)) SARS-CoV-2 Transmembrane protease serine 2 (TMPRSS2) Withanolides Withanosides

Journal

International journal of biological macromolecules
ISSN: 1879-0003
Titre abrégé: Int J Biol Macromol
Pays: Netherlands
ID NLM: 7909578

Informations de publication

Date de publication:
01 Aug 2021
Historique:
received: 28 12 2020
revised: 01 06 2021
accepted: 02 06 2021
pubmed: 13 6 2021
medline: 4 8 2021
entrez: 12 6 2021
Statut: ppublish

Résumé

COVID-19 caused by SARS-CoV-2 corona virus has become a global pandemic. In the absence of drugs and vaccine, and premises of time, efforts and cost required for their development, natural resources such as herbs are anticipated to provide some help and may also offer a promising resource for drug development. Here, we have investigated the therapeutic prospective of Ashwagandha for the COVID-19 pandemic. Nine withanolides were tested in silico for their potential to target and inhibit (i) cell surface receptor protein (TMPRSS2) that is required for entry of virus to host cells and (ii) viral protein (the main protease M

Identifiants

DOI: 10.1016/j.ijbiomac.2021.06.015 PMID: 34118289 PMC: PMC8188803
pubmed: 34118289
pii: S0141-8130(21)01215-0
doi: 10.1016/j.ijbiomac.2021.06.015
pmc: PMC8188803
pii:
doi:

Substances chimiques

Antiviral Agents 0
Plant Extracts 0
Viral Matrix Proteins 0
Withanolides 0
membrane protein, SARS-CoV-2 0
Serine Endopeptidases EC 3.4.21.-
TMPRSS2 protein, human EC 3.4.21.-
Ashwagandha V038D626IF

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

297-312

Informations de copyright

Copyright © 2021. Published by Elsevier B.V.

Auteurs

Jaspreet Kaur Dhanjal (JK)

Indraprastha Institute of Information Technology Delhi, Okhla Industrial Estate, Phase III, New Delhi 110 020, India. Electronic address: jaspreet@iiitd.ac.in.

Vipul Kumar (V)

DAILAB, Department of Biochemical Engineering & Biotechnology, Indian Institute of Technology (IIT) Delhi, Hauz Khas, New Delhi 110 016, India. Electronic address: vipul.kumar@dbeb.iitd.ac.in.

Sukant Garg (S)

AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), Tsukuba 305 8565, Japan. Electronic address: sukant.garg@aist.go.jp.

Chandru Subramani (C)

Regional Centre for Biotechnology (RCB), Faridabad 121 001, India. Electronic address: s.chandru@rcb.res.in.

Shubhra Agarwal (S)

Regional Centre for Biotechnology (RCB), Faridabad 121 001, India. Electronic address: shubhra.agarwal@rcb.res.in.

Jia Wang (J)

AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), Tsukuba 305 8565, Japan. Electronic address: wang-jia0819@aist.go.jp.

Huayue Zhang (H)

AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), Tsukuba 305 8565, Japan. Electronic address: zhang-huayue@aist.go.jp.

Ashish Kaul (A)

AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), Tsukuba 305 8565, Japan. Electronic address: ashish-kaul@aist.go.jp.

Rajkumar Singh Kalra (RS)

AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), Tsukuba 305 8565, Japan. Electronic address: rajkumar-singh@oist.jp.

Sunil C Kaul (SC)

AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), Tsukuba 305 8565, Japan. Electronic address: s-kaul@aist.go.jp.

Sudhanshu Vrati (S)

Regional Centre for Biotechnology (RCB), Faridabad 121 001, India. Electronic address: vrati@rcb.res.in.

Durai Sundar (D)

DAILAB, Department of Biochemical Engineering & Biotechnology, Indian Institute of Technology (IIT) Delhi, Hauz Khas, New Delhi 110 016, India. Electronic address: sundar@dbeb.iitd.ac.in.

Renu Wadhwa (R)

AIST-INDIA DAILAB, DBT-AIST International Center for Translational & Environmental Research (DAICENTER), National Institute of Advanced Industrial Science & Technology (AIST), Tsukuba 305 8565, Japan. Electronic address: renu-wadhwa@aist.go.jp.

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Classifications MeSH

questionsmedicales.fr › Cellules › Cellules épithéliales › Cellules A549 › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Cellules › Cellules cultivées › Lignée cellulaire › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Phénomènes physiologiques cellulaires › Survie cellulaire › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Régulation négative › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Phénomènes génétiques › Régulation de l'expression des gènes › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Cellules › Cellules cultivées › Lignée cellulaire › Cellules MCF-7 › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Techniques d'investigation › Modèles théoriques › Modèles moléculaires › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Préparations pharmaceutiques › Extraits de plantes › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Conformation moléculaire › Conformation des protéines › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN à brin positif › Nidovirales › Coronaviridae › Coronavirus › Betacoronavirus › Virus du SRAS › SARS-CoV-2 › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Peptide hydrolases › Protéases à sérine › Serine endopeptidases › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines virales › Protéines virales structurales › Protéines de l'enveloppe virale › Protéines de la matrice virale › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Phénomènes microbiologiques › Phénomènes physiologiques viraux › Pénétration virale › Molecular mechanism of anti-SARS-CoV2 activity...
questionsmedicales.fr › Facteurs biologiques › Composés phytochimiques › Phytostérols › Withanolides › Molecular mechanism of anti-SARS-CoV2 activity...