Impact of remdesivir incorporation along the primer strand on SARS-CoV-2 RNA-Dependent RNA polymerase

S Naseem-Khan, MB Berger, EM Leddin… - Journal of chemical …, 2022 - ACS Publications
Remdesivir was the first antiviral drug that received emergency use authorization from the
United States Food and Drug Administration and is now formally approved to treat COVID …

RNA-dependent RNA polymerase from SARS-COV-2. Mechanism of reaction and inhibition by remdesivir

J Aranda, M Orozco - BioRxiv, 2020 - biorxiv.org
We combine sequence analysis, molecular dynamics and hybrid quantum
mechanics/molecular mechanics simulations to obtain the first description of the mechanism …

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 …

Remdesivir-bound and ligand-free simulations reveal the probable mechanism of inhibiting the RNA dependent RNA polymerase of severe acute respiratory …

S Koulgi, V Jani, MVN Uppuladinne, U Sonavane… - Rsc Advances, 2020 - pubs.rsc.org
The efforts towards developing a potential drug against the current global pandemic, COVID-
19, have increased in the past few months. Drug development strategies to target the RNA …

Translocation pause of remdesivir-containing primer/template RNA duplex within SARS-CoV-2's RNA polymerase complexes

Y Shi, J Wang, VS Batista - Frontiers in Molecular Biosciences, 2022 - frontiersin.org
The mechanism of remdesivir incorporation into the RNA primer by the RNA-dependent
RNA polymerase (RdRp) of severe acute respiratory syndrome coronavirus-2 (SARS-CoV …

Modeling the binding mechanism of remdesivir, favilavir, and ribavirin to SARS-CoV-2 RNA-dependent RNA polymerase

F Bylehn, CA Menendez, GR Perez-Lemus… - ACS central …, 2021 - ACS Publications
Recent efforts to repurpose drugs to combat COVID-19 have identified Remdesivir as a
candidate. It acts on the RNA-dependent, RNA polymerase (RdRp) of the SARS-CoV-2 …

RNA dependent RNA polymerase (RdRp) as a drug target for SARS-CoV2

A Mishra, AS Rathore - Journal of Biomolecular Structure and …, 2022 - Taylor & Francis
RNA-dependent RNA polymerase (RdRp), also called nsp12, is considered a promising but
challenging drug target for inhibiting replication and hence, the growth of various RNA …

Unraveling the binding mechanism of the active form of Remdesivir to RdRp of SARS-CoV-2 and designing new potential analogues: Insights from molecular …

M Arba, N Paradis, ST Wahyudi, DJ Brunt… - Chemical Physics …, 2022 - Elsevier
The binding of the active form of Remdesivir (RTP) to RNA-dependent RNA Polymerase
(RdRp) of SARS-CoV-2 was studied using molecular dynamics simulation. The RTP …

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 …

Alternative role of motif B in template dependent polymerase inhibition

X Luo, T Xu, X Gao, L Zhang - Chinese Journal of Chemical Physics, 2022 - pubs.aip.org
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) relies on the central
molecular machine RNA-dependent RNA polymerase (RdRp) for the viral replication and …