<i>In silico</i> evaluation of <i>S</i> -adenosyl-L-homocysteine analogs as inhibitors of nsp14-viral cap N7 methyltranferase and PLpro of SARS-CoV-2: synthesis, molecular docking, physicochemical data, ADMET and molecular dynamics simulations studies-Reference-Cited by-同舟云学术

In silico evaluation of S -adenosyl-L-homocysteine analogs as inhibitors of nsp14-viral cap N7 methyltranferase and PLpro of SARS-CoV-2: synthesis, molecular docking, physicochemical data, ADMET and molecular dynamics simulations studies

Published:2023-12-26 Issue: Volume: Page:1-18
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Srivastava Ritika¹²,Panda Saroj Kumar¹,Sen Gupta Parth Sarthi³,Chaudhary Anvita⁴,Naaz Farha²,Yadav Aditya K.²,Ram Nand Kumar²,Rana Malay Kumar¹^ORCID,Singh Ramendra K.²,Srivastava Richa²⁴

Affiliation:

1. Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India

2. Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, India

3. School of Biosciences and Bioengineering, D Y Patil International University, Akurdi, India

4. Department of Applied Chemistry, Delhi Technological University, Delhi, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2297005

Reference74 articles.

1. Synthesis of adenine dinucleosides SAM analogs as specific inhibitors of SARS-CoV nsp14 RNA cap guanine-N7-methyltransferase

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

3. Toward the identification of viral cap-methyltransferase inhibitors by fluorescence screening assay

4. Structural insights into SARS-CoV-2 proteins

5. Inhibitors of Heptosyltransferase I to prevent heptose transfer against antibiotic resistance of E. coli: Energetics and stability analysis by DFT and molecular dynamics