Comparative docking and molecular dynamics studies of molnupiravir (EIDD-2801): implications for novel mechanisms of action on influenza and SARS-CoV-2 protein targets-Reference-Cited by-同舟云学术

Comparative docking and molecular dynamics studies of molnupiravir (EIDD-2801): implications for novel mechanisms of action on influenza and SARS-CoV-2 protein targets

Published:2023-10-09 Issue: Volume: Page:1-13
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Istifli Erman Salih¹,Okumus Nurullah²,Sarikurkcu Cengiz³,Kuhn Eduardo Ramires⁴,Netz Paulo A.⁴,Tepe Arzuhan Sihoglu⁵

Affiliation:

1. Faculty of Science and Literature, Department of Biology, Cukurova University, Adana, Turkey

2. Faculty of Medicine, Department of Pediatrics, Afyonkarahisar Health Sciences University, Afyonkarahisar, Turkey

3. Faculty of Pharmacy, Department of Analytical Chemistry, Afyonkarahisar Health Sciences University, Afyonkarahisar, Turkey

4. Theoretical Chemistry Group, Institute of Chemistry, Universidade Federal do Rio Grande do Sul, Porto Alegre, Brazil

5. Department of Pharmacy Services, Kilis 7 Aralik University, Vocational High School of Health Services, Kilis, Turkey

Funder

CNPq and CAPES [

Centro Nacional de Supercomputação (CESUP), Universidade Federal do Rio Grande do Sul

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2267696

Reference83 articles.

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

2. Potential COVID-19 Drug Candidates Based on Diazinyl-Thiazol-Imine Moieties: Synthesis and Greener Pastures Biological Study

3. In silico studies of Potency and safety assessment of selected trial drugs for the treatment of COVID-19

4. Potential Anti-SARS-CoV-2 Therapeutics That Target the Post-Entry Stages of the Viral Life Cycle: A Comprehensive Review

5. The proximal origin of SARS-CoV-2