We combine sequence analysis, molecular dynamics and hybrid quantum mechanics/molecular mechanics simulations to obtain the first description of the mechanism …
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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 …