Prediction of small molecule inhibitors targeting the severe acute respiratory syndrome coronavirus-2 RNA-dependent RNA polymerase

M Ahmad, A Dwivedy, R Mariadasse, S Tiwari… - ACS …, 2020 - ACS Publications
The current COVID-19 outbreak warrants the design and development of novel anti-COVID
therapeutics. Using a combination of bioinformatics and computational tools, we modelled …

A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations

J Ou, EM Lewandowski, Y Hu, AA Lipinski… - PLoS …, 2023 - journals.plos.org
The SARS-CoV-2 main protease (Mpro) is a major therapeutic target. The Mpro inhibitor,
nirmatrelvir, is the antiviral component of Paxlovid, an orally available treatment for COVID …

[PDF][PDF] Mechanism of action of favipiravir against SARS-CoV-2: Mutagenesis or chain termination?

L Zhao, W Zhong - The Innovation, 2021 - cell.com
Favipiravir is a novel broad-spectrum antiviral drug against RNA viruses that has been
approved for the treatment of seasonal and pandemic influenza. The use of favipiravir is a …

Screening of potent drug inhibitors against SARS-CoV-2 RNA polymerase: an in silico approach

SK Singh, AK Upadhyay, MS Reddy - 3 Biotech, 2021 - Springer
COVID-19 has emerged as a rapidly escalating serious global health issue, affecting every
section of population in a detrimental way. Present situation invigorated researchers to look …

[PDF][PDF] Structural analogues of existing anti-viral drugs inhibit SARS-CoV-2 RNA dependent RNA polymerase: A computational hierarchical investigation

MK Hasan, M Kamruzzaman, OHB Manjur, A Mahmud… - Heliyon, 2021 - cell.com
Abstract The Coronavirus Disease 2019 (COVID-19) caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) became a pandemic, resulting in an exponentially …

Novel adenosine derivatives against SARS-CoV-2 RNA-dependent RNA polymerase: an in silico perspective

A Sonousi, HA Mahran, IM Ibrahim, MN Ibrahim… - Pharmacological …, 2021 - Springer
Background SARS-CoV-2 is a newly emerged human coronavirus that severely affected
human health and the economy. The viral RNA-dependent RNA polymerase (RdRp) is a …

Molecular modeling evaluation of the binding effect of ritonavir, lopinavir and darunavir to severe acute respiratory syndrome coronavirus 2 proteases

S Lin, R Shen, J He, X Li, X Guo - BioRxiv, 2020 - biorxiv.org
Three anti-HIV drugs, ritonavir, lopinavir and darunavir, might have therapeutic effect on
coronavirus disease 2019 (COVID-19). In this study, the structure models of two severe …

Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants

SE Greasley, S Noell, O Plotnikova, RA Ferre… - Journal of Biological …, 2022 - ASBMB
The COVID-19 pandemic continues to be a public health threat with emerging variants of
SARS-CoV-2. Nirmatrelvir (PF-07321332) is a reversible, covalent inhibitor targeting the …

Comparative assessment of RNA-dependent RNA polymerase (RdRp) inhibitors under clinical trials to control SARS-CoV2 using rigorous computational workflow

D Goswami - RSC advances, 2021 - pubs.rsc.org
The devastating effect of SARS-CoV2 continues and the scientific community is pursuing to
find the strategy to combat the spread of the virus. The approach is adapted to target this …

Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study

AA Elfiky - Life sciences, 2020 - Elsevier
Aims A new human coronavirus (HCoV), which has been designated SARS-CoV-2, began
spreading in December 2019 in Wuhan City, China causing pneumonia called COVID-19 …