Virtual screening of natural products inspired in-house library to discover potential lead molecules against the SARS-CoV-2 main protease-Reference-Cited by-同舟云学术

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Virtual screening of natural products inspired in-house library to discover potential lead molecules against the SARS-CoV-2 main protease

Published:2022-01-19 Issue:5 Volume:41 Page:2033-2045
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Garg Aakriti¹²,Goel Narender¹²,Abhinav Nipun¹²,Varma Tanmay¹^ORCID,Achari Anushree²,Bhattacharjee Pinaki²,Kamal Izaz Monir³,Chakrabarti Saikat³,Ravichandiran Velayutham¹,Reddy Araveeti Madhusudhana⁴,Gupta Sreya¹,Jaisankar Parasuraman²

Affiliation:

1. National Institute of Pharmaceutical Education and Research (NIPER), Kolkata, Chunilal Bhawan, Kolkata, India

2. Department of Organic and Medicinal Chemistry, CSIR-Indian Institute of Chemical Biology, Kolkata, India

3. Department of Structural Biology and Bioinformatics, CSIR-Indian Institute of Chemical Biology, Kolkata, India

4. Department of Botany, Yogi Vemana University, Kadapa, India

Funder

Council of Scientific and Industrial Research

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2027271

Reference71 articles.

1. Daucus carota root enzyme catalyzed Henry reaction: A green approach

2. Coronavirus Main Proteinase (3CL pro ) Structure: Basis for Design of Anti-SARS Drugs

3. Cyanobacteria of the Indian Sundarbans: A Potential Source of Powerful Therapeutic Agents

4. Evaluation of acridinedione analogs as potential SARS-CoV-2 main protease inhibitors and their comparison with repurposed anti-viral drugs

5. Bhardwaj, V. K., Singh, R., Sharma, J., Rajendran, V., Purohit, R. & Kumar, S. (2021). Bioactive molecules of tea as potential inhibitors for RNA-dependent RNA polymerase of SARS-CoV-2. Frontiers in Medicine, 8, 1–11.

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1. In-vitro and in-silico cholinesterase inhibitory activity of bioactive molecules isolated from the leaves of Andrographis nallamalayana J.L. Ellis and roots of Andrographis beddomei C.B. Clarke;Journal of Molecular Structure;2024-04

2. Molecular modeling of novel 2-aminopyridine derivatives as potential JAK2 inhibitors: a rational strategy for promising anticancer agents;Journal of Biomolecular Structure and Dynamics;2024-03-06

3. Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations;Computational Biology and Chemistry;2024-02

4. In silico studies of alkaloids and their derivatives against N-acetyltransferase EIS protein from Mycobacterium tuberculosis;Journal of Biomolecular Structure and Dynamics;2023-09-20

5. Discovery of Pongol, the Furanoflavonoid, as an Inhibitor of CDK7/Cyclin H/MAT1 and Its Preliminary Structure–Activity Relationship;ACS Omega;2022-12-21

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