Novel designed analogues of quercetin against SARS-CoV2:an in-silico pharmacokinetic evaluation, molecular modeling, MD simulations based study-Reference-Cited by-同舟云学术

Novel designed analogues of quercetin against SARS-CoV2:an in-silico pharmacokinetic evaluation, molecular modeling, MD simulations based study

Published:2023-10-05 Issue: Volume: Page:1-19
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Shamim Sumbul¹,Akhtar Mahwish²^ORCID,Gul Somia³^ORCID

Affiliation:

1. Department of Pharmacology, Faculty of Pharmaceutical Sciences, Dow College of Pharmacy, Dow University of Health Sciences, Karachi, Pakistan

2. Department of Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences, Dow College of Pharmacy, Dow University of Health Sciences, Karachi, Pakistan

3. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Jinnah University for Women, Karachi, Pakistan

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2265469

Reference61 articles.

1. Prediction of New Bioactive Molecules using a Bayesian Belief Network

2. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

3. A critical analysis of the evidence for the SARS-CoV-2 origin hypotheses;Alwine J. C.;Journal of Virology,2023

4. First structure–activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery

5. Screening and druggability analysis of some plant metabolites against SARS-CoV-2: An integrative computational approach

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