Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CL

Humans SARS-CoV-2 COVID-19 Catechin / pharmacology Pandemics Antiviral Agents / pharmacology RNA Molecular Docking Simulation Protease Inhibitors / pharmacology
3CLpro COVID-19 MD simulation MM/PBSA SARS-CoV-2 virtual Screening

Journal

Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176

Informations de publication

Date de publication:
2022
Historique:
pubmed: 14 10 2021
medline: 29 12 2022
entrez: 13 10 2021
Statut: ppublish

Résumé

SARS-CoV-2, a member of beta coronaviruses, is a single-stranded, positive-sense RNA virus responsible for the COVID-19 pandemic. With global fatalities of the pandemic exceeding 4.57 million, it becomes crucial to identify effective therapeutics against the virus. A protease, 3CL

Identifiants

DOI: 10.1080/07391102.2021.1988710 PMID: 34644249
pubmed: 34644249
doi: 10.1080/07391102.2021.1988710
doi:

Substances chimiques

Catechin 8R1V1STN48
Antiviral Agents 0
RNA 63231-63-0
Protease Inhibitors 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

13392-13411

Auteurs

Rajat Kumar Jha (RK)

Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, U.P., India.
ORCID: 0000-0002-8557-4219

Rameez Jabeer Khan (RJ)

Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, U.P., India.
ORCID: 0000-0002-0997-0535

A Parthiban (A)

National Centre for Sustainable Coastal Management, Ministry of Environment, Forest and Climate Change, Government of India, Anna University Campus, Chennai, Tamil Nadu, India.
Department of Chemistry, School of Arts and Sciences, Vinayaka Mission's Research Foundation, AVIT campus, Chennai, India.
ORCID: 0000-0001-7836-3205

Ekampreet Singh (E)

Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, U.P., India.
ORCID: 0000-0002-7976-1608

Monika Jain (M)

Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, U.P., India.
ORCID: 0000-0003-4866-3893

Gizachew Muluneh Amera (GM)

Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, U.P., India.
Department of Biotechnology, College of Natural and Computational Sciences, Wollo University, Dessie, Ethiopia.
ORCID: 0000-0001-5079-5639

Rashmi Prabha Singh (RP)

Department of Biotechnology, IILM College of Engineering & Technology, Greater Noida, U.P, India.
ORCID: 0000-0003-4475-3007

Purvaja Ramachandran (P)

National Centre for Sustainable Coastal Management, Ministry of Environment, Forest and Climate Change, Government of India, Anna University Campus, Chennai, Tamil Nadu, India.

Ramesh Ramachandran (R)

National Centre for Sustainable Coastal Management, Ministry of Environment, Forest and Climate Change, Government of India, Anna University Campus, Chennai, Tamil Nadu, India.

V Sachithanandam (V)

National Centre for Sustainable Coastal Management, Ministry of Environment, Forest and Climate Change, Government of India, Anna University Campus, Chennai, Tamil Nadu, India.
ORCID: 0000-0003-3505-7923

Jayaraman Muthukumaran (J)

Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, U.P., India.
ORCID: 0000-0002-0953-1196

Amit Kumar Singh (AK)

Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, U.P., India.
ORCID: 0000-0001-7130-8174

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Classifications MeSH

questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Identifying the natural compound Catechin from...
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN à brin positif › Nidovirales › Coronaviridae › Coronavirus › Betacoronavirus › Virus du SRAS › SARS-CoV-2 › Identifying the natural compound Catechin from...
questionsmedicales.fr › Maladies de l'appareil respiratoire › Infections de l'appareil respiratoire › Pneumopathie infectieuse › Pneumopathie virale › COVID-19 › Identifying the natural compound Catechin from...
questionsmedicales.fr › Composés hétérocycliques › Composés hétérocycliques à cycles fusionnés › Composés hétérobicycliques › Benzopyranes › 4H-1-Benzopyran-4-ones › Flavonoïdes › Catéchine › Identifying the natural compound Catechin from...
questionsmedicales.fr › Environnement et santé publique › Santé publique › Épidémies de maladies › Épidémies › Pandémies › Identifying the natural compound Catechin from...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux › Identifying the natural compound Catechin from...
questionsmedicales.fr › Acides nucléiques, nucléotides et nucléosides › Acides nucléiques › ARN › Identifying the natural compound Catechin from...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Identifying the natural compound Catechin from...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Inhibiteurs de protéases › Identifying the natural compound Catechin from...