Revealing the inhibition mechanism of RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 by remdesivir and nucleotide analogues: A molecular dynamics …

PD Wakchaure, S Ghosh… - The Journal of Physical …, 2020 - ACS Publications
Antiviral drug therapy against SARS-CoV-2 is not yet established and posing a serious
global health issue. Remdesivir is the first antiviral compound approved by the US FDA for …

Feasibility of known RNA polymerase inhibitors as anti-SARS-CoV-2 drugs

U Neogi, KJ Hill, AT Ambikan, X Heng, TP Quinn… - Pathogens, 2020 - mdpi.com
Coronaviruses (CoVs) are positive-stranded RNA viruses that infect humans and animals.
Infection by CoVs such as HCoV-229E,-NL63,-OC43 and-HKU1 leads to the common cold …

Mechanistic insight on the remdesivir binding to RNA-Dependent RNA polymerase (RdRp) of SARS-cov-2

M Arba, ST Wahyudi, DJ Brunt, N Paradis… - Computers in biology and …, 2021 - Elsevier
The RNA-dependent RNA polymerase (RdRp) is a key enzyme which regulates the viral
replication of SARS-CoV-2. Remdesivir (RDV) is clinically used drug which targets RdRp …

[HTML][HTML] RdRp inhibitors and COVID-19: Is molnupiravir a good option?

SMR Hashemian, MH Pourhanifeh, MR Hamblin… - Biomedicine & …, 2022 - Elsevier
Rapid changes in the viral genome allow viruses to evade threats posed by the host immune
response or antiviral drugs, and can lead to viral persistence in the host cells. RNA …

[HTML][HTML] H172Y mutation perturbs the S1 pocket and nirmatrelvir binding of SARS-CoV-2 main protease through a nonnative hydrogen bond

VM de Oliveira, MF Ibrahim, X Sun, R Hilgenfeld… - Research …, 2022 - ncbi.nlm.nih.gov
Nirmatrelvir is an orally available inhibitor of SARS-CoV-2 main protease (Mpro) and the
main ingredient of PAXLOVID, a drug approved by FDA for high-risk COVID-19 patients …

Evaluation of potential anti-RNA-dependent RNA polymerase (RdRP) drugs against the newly emerged model of COVID-19 RdRP using computational methods

A Poustforoosh, H Hashemipour, B Tüzün… - Biophysical …, 2021 - Elsevier
Introduction Despite all the efforts to treat COVID-19, no particular cure has been found for
this virus. Since developing antiviral drugs is a time-consuming process, the most effective …

A novel model of molnupiravir against SARS-CoV-2 replication: accumulated RNA mutations to induce error catastrophe

Y Zhao, G He, W Huang - Signal transduction and targeted therapy, 2021 - nature.com
RNA-dependent RNA polymerase (RdRp), also known as nsp12, is a key component in the
synthesis of viral ribonucleic acid (RNA) and is considered the primary target of nucleoside …

In silico identification of widely used and well-tolerated drugs as potential SARS-CoV-2 3C-like protease and viral RNA-dependent RNA polymerase inhibitors for …

S Gul, O Ozcan, S Asar, A Okyar, I Barıs… - Journal of …, 2021 - Taylor & Francis
Despite strict measures taken by many countries, severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) continues to be an issue of global concern. Currently, there are …

Potential inhibitors of SARS-cov-2 RNA dependent RNA polymerase protein: molecular docking, molecular dynamics simulations and MM-PBSA analyses

Z Elkarhat, H Charoute, L Elkhattabi… - Journal of …, 2022 - Taylor & Francis
The SARS-cov-2 RNA dependent RNA polymerase (nsp12) is a crucial viral enzyme that
catalyzes the replication of RNA from RNA templates. The fixation of some ligands in the …

[PDF][PDF] Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2

J Aranda, M Wieczór, M Terrazas, I Brun-Heath… - Chem catalysis, 2022 - cell.com
We combine molecular dynamics, statistical mechanics, and hybrid quantum
mechanics/molecular mechanics simulations to describe mechanistically the severe acute …