Computational investigation of potential inhibitors of novel coronavirus 2019 through structure-based virtual screening, molecular dynamics and density functional theory studies-Reference-Cited by-同舟云学术

Computational investigation of potential inhibitors of novel coronavirus 2019 through structure-based virtual screening, molecular dynamics and density functional theory studies

Published:2020-07-15 Issue:12 Volume:39 Page:4449-4461
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Mishra Shashank Shekhar¹,Ranjan Shashi²,Sharma Chandra Shekhar¹,Singh Hemendra Pratap¹,Kalra Sourav³,Kumar Neeraj¹

Affiliation:

1. Department of Pharmaceutical Chemistry, Bhupal Nobles’ College of Pharmacy, Bhupal Nobles’ University, Udaipur, India

2. Department of Pharmacy, United group of Institutions, Uttar-Pradesh, India

3. Centre for Human Genetics & Molecular Medicine, Central University of Punjab, Bhatinda, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1791957

Reference29 articles.

1. SARS-CoV-2 Vaccines: Status Report

2. Pharmacophore model prediction, 3D-QSAR and molecular docking studies on vinyl sulfones targeting Nrf2-mediated gene transcription intended for anti-Parkinson drug design

3. Mechanisms of Coronavirus Cell Entry Mediated by the Viral Spike Protein

4. Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences

5. Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

Cited by 26 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. In‐Vitro Antimicrobial, Antidiabetic and Anticancer Activities of Calyptocarpus Vialis Extract and its Integration with Computational Studies;ChemistrySelect;2024-09-12

2. In silico comparison between the mutated and wild-type androgen receptors and their influence on the selection of optimum androgenic receptor blockers for the treatment of prostate cancer;F1000Research;2024-01-11

3. Artificial intelligence: Machine learning approach for screening large database and drug discovery;Antiviral Research;2023-12

4. Purification of ursolic acid and β-sitosterol from endophytic Alternaria alternata for their alpha-amylase inhibitory activity;Journal of Biomolecular Structure and Dynamics;2023-07-21

5. Identification of terpenoids as dihydropteroate synthase and dihydrofolate reductase inhibitors through structure-based virtual screening and molecular dynamic simulations;Journal of Biomolecular Structure and Dynamics;2023-05-12