Antiviral Agents / pharmacology Molecular Docking Simulation Molecular Dynamics Simulation Papain Peptide Hydrolases Protease Inhibitors / pharmacology SARS-CoV-2 / drug effects Coronavirus 3C Proteases / antagonists & inhibitors Coronavirus Papain-Like Proteases / antagonists & inhibitors
MD simulation SARS-CoV-2 flavonoids molecular docking phytomedicine polyphenolics protease inhibitors

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: 30 6 2021
medline: 17 12 2022
entrez: 29 6 2021
Statut: ppublish

Résumé

Due to the unavailability specific drugs or vaccines (FDA approved) that can cure COVID-19, the development of potent antiviral drug candidates/therapeutic molecules against COVID-19 is urgently required. This study was aimed at

Identifiants

DOI: 10.1080/07391102.2021.1944909 PMID: 34182889
pubmed: 34182889
doi: 10.1080/07391102.2021.1944909
doi:

Substances chimiques

Antiviral Agents 0
Papain EC 3.4.22.2
Peptide Hydrolases EC 3.4.-
Protease Inhibitors 0
Coronavirus 3C Proteases EC 3.4.22.28
papain-like protease, SARS-CoV-2 EC 3.4.22.2
Coronavirus Papain-Like Proteases EC 3.4.22.2

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

10437-10453

Auteurs

Mithun Rudrapal (M)

Rasiklal M. Dhariwal Institute of Pharmaceutical Education and Research, Pune, Maharashtra, India.
ORCID: 0000-0002-8172-6633

Abdul Rashid Issahaku (AR)

Molecular Bio-Computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa.
ORCID: 0000-0002-9012-436X

Clement Agoni (C)

Molecular Bio-Computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa.
ORCID: 0000-0001-6130-8031

Atul R Bendale (AR)

Sandip Institute of Pharmaceutical Sciences, Nashik, Maharashtra, India.
ORCID: 0000-0002-3219-0377

Akhil Nagar (A)

R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur, Maharashtra, India.
ORCID: 0000-0002-9266-8790

Mahmoud E S Soliman (MES)

Molecular Bio-Computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa.
ORCID: 0000-0002-8711-7783

Deepak Lokwani (D)

R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur, Maharashtra, India.
ORCID: 0000-0003-2858-678X

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Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux ›
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire ›
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire ›
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Peptide hydrolases › Endopeptidases › Cysteine endopeptidases › Papaïne ›
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Peptide hydrolases ›
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Inhibiteurs de protéases ›
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN à brin positif › Nidovirales › Coronaviridae › Coronavirus › Betacoronavirus › Virus du SRAS › SARS-CoV-2 ›
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines virales › Protéines virales non structurales › Protéases virales › Protéases virales 3C › Protéases 3C des coronavirus ›
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines virales › Protéines virales non structurales › Protéases virales › Protéases virales de type papaïne › Protéases de type papaïne des coronavirus ›