Dynamic Profiling of β-Coronavirus 3CL M

Antiviral Agents Binding Sites COVID-19 Humans Ligands Peptide Hydrolases Protease Inhibitors RNA, Viral SARS-CoV-2

Journal

Journal of chemical information and modeling
ISSN: 1549-960X
Titre abrégé: J Chem Inf Model
Pays: United States
ID NLM: 101230060

Informations de publication

Date de publication:
28 06 2021
Historique:
pubmed: 15 6 2021
medline: 1 7 2021
entrez: 14 6 2021
Statut: ppublish

Résumé

β-coronavirus (CoVs) alone has been responsible for three major global outbreaks in the 21st century. The current crisis has led to an urgent requirement to develop therapeutics. Even though a number of vaccines are available, alternative strategies targeting essential viral components are required as a backup against the emergence of lethal viral variants. One such target is the main protease (M

Identifiants

DOI: 10.1021/acs.jcim.1c00449 PMID: 34124899
pubmed: 34124899
doi: 10.1021/acs.jcim.1c00449
doi:

Substances chimiques

Antiviral Agents 0
Ligands 0
Protease Inhibitors 0
RNA, Viral 0
Peptide Hydrolases EC 3.4.-

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

3058-3073

Auteurs

Eunice Cho (E)

UCL School of Pharmacy, London WC1N 1AX, U.K.

Margarida Rosa (M)

UCL School of Pharmacy, London WC1N 1AX, U.K.

Ruhi Anjum (R)

Department of Biochemistry, Aligarh Muslim University, Aligarh, Uttar Pradesh 202002, India.

Saman Mehmood (S)

Department of Zoology, Aligarh Muslim University, Aligarh, Uttar Pradesh 202002, India.

Mariya Soban (M)

Department of Biochemistry, Aligarh Muslim University, Aligarh, Uttar Pradesh 202002, India.

Moniza Mujtaba (M)

Herricks High School, New Hyde Park, New York 11040 United States.

Khair Bux (K)

Third World Center for Science and Technology, H.E.J. Research Institute of Chemistry, International Centre of Chemical and Biological Sciences, University of Karachi, Karachi 75270 Pakistan.

Syed T Moin (ST)

Third World Center for Science and Technology, H.E.J. Research Institute of Chemistry, International Centre of Chemical and Biological Sciences, University of Karachi, Karachi 75270 Pakistan.
ORCID: 0000-0002-2868-7663

Mohammad Tanweer (M)

UCL School of Pharmacy, London WC1N 1AX, U.K.

Sarath Dantu (S)

Department of Computer Science, Brunel University, Uxbridge UB8 3PH, U.K.
ORCID: 0000-0003-2019-5311

Alessandro Pandini (A)

Department of Computer Science, Brunel University, Uxbridge UB8 3PH, U.K.
ORCID: 0000-0002-4158-233X

Junqi Yin (J)

Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.

Heng Ma (H)

Data Science and Learning Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.

Arvind Ramanathan (A)

Data Science and Learning Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.
Consortium for Advanced Science and Engineering, University of Chicago, Chicago, Illinois 60637, United States.

Barira Islam (B)

Department of Bioscience, University of Huddersfield, Huddersfield HD1 3DH, U.K.
ORCID: 0000-0001-5882-6903

Antonia S J S Mey (ASJS)

EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, U.K.
ORCID: 0000-0001-7512-5252

Debsindhu Bhowmik (D)

Computer Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
ORCID: 0000-0001-7770-9091

Shozeb Haider (S)

UCL School of Pharmacy, London WC1N 1AX, U.K.
ORCID: 0000-0003-2650-2925

Articles similaires

[Redispensing of expensive oral anticancer medicines: a practical application].

Lisanne N van Merendonk, Kübra Akgöl, Bastiaan Nuijen
1.00
Humans Antineoplastic Agents Administration, Oral Drug Costs Counterfeit Drugs

Smoking Cessation and Incident Cardiovascular Disease.

Jun Hwan Cho, Seung Yong Shin, Hoseob Kim et al.
1.00
Humans Male Smoking Cessation Cardiovascular Diseases Female

Evaluation of Low-Value Services Across Major Medicare Advantage Insurers and Traditional Medicare.

Ciara Duggan, Adam L Beckman, Ishani Ganguli et al.
1.00
Humans United States Aged Cross-Sectional Studies Medicare Part C

Effectiveness of Virtual Yoga for Chronic Low Back Pain: A Randomized Clinical Trial.

Hallie Tankha, Devyn Gaskins, Amanda Shallcross et al.
1.00
Humans Yoga Low Back Pain Female Male

Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux › Dynamic Profiling of β-Coronavirus 3CL M
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Sites de fixation › Dynamic Profiling of β-Coronavirus 3CL M
questionsmedicales.fr › Maladies de l'appareil respiratoire › Infections de l'appareil respiratoire › Pneumopathie infectieuse › Pneumopathie virale › COVID-19 › Dynamic Profiling of β-Coronavirus 3CL M
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Dynamic Profiling of β-Coronavirus 3CL M
questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Ligands › Dynamic Profiling of β-Coronavirus 3CL M
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Peptide hydrolases › Dynamic Profiling of β-Coronavirus 3CL M
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Inhibiteurs de protéases › Dynamic Profiling of β-Coronavirus 3CL M
questionsmedicales.fr › Acides nucléiques, nucléotides et nucléosides › Acides nucléiques › ARN › ARN viral › Dynamic Profiling of β-Coronavirus 3CL M
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN à brin positif › Nidovirales › Coronaviridae › Coronavirus › Betacoronavirus › Virus du SRAS › SARS-CoV-2 › Dynamic Profiling of β-Coronavirus 3CL M