<i>In-silico</i> investigation of 4-nitro-N-1H-pyrazol-3-ylbenzamide towards its potential use against SARS-CoV-2: a DFT, molecular docking and molecular dynamics study-Reference-Cited by-同舟云学术

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In-silico investigation of 4-nitro-N-1H-pyrazol-3-ylbenzamide towards its potential use against SARS-CoV-2: a DFT, molecular docking and molecular dynamics study

Published:2023-09-28 Issue: Volume: Page:1-21
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

S. V. Niranjana¹²,B. S. Chethan¹,Mahesha ¹³,K. N. Chethan Prathap⁴,M. K. Hema¹,N. K. Lokanath¹

Affiliation:

1. Department of Studies in Physics, University of Mysore, Mysuru, India

2. Department of Studies in Physics, Karnataka State Open University, Mysuru, India

3. Department of Physics, SJCE, JSS Science and Technology University, Mysuru, India

4. Department of Physics, University College of Science, Tumkur University, Tumakuru, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2262597

Reference52 articles.

1. Pyrazoles: Synthetic strategies and their pharmaceutical applications – An overview;Ajay Kumar K.;International Journal of PharmTech Research,,2013

2. Novel coronavirus pathogen in humans and animals: an overview on its social impact, economic impact, and potential treatments

3. Altaf A. A. Shahzad A. Gul Z. Rasool N. Badshah A. Lal B. & Khan E. (2015). A review on the medicinal importance of pyridine derivatives. 1 (1) 1–11.

4. Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors

5. Review: biologically active pyrazole derivatives

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