SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective

AA Elfiky - Journal of Biomolecular Structure and Dynamics, 2021 - Taylor & Francis
New treatment against SARS-CoV-2 now is a must. Nowadays, the world encounters a huge
health crisis by the COVID-19 viral infection. Nucleotide inhibitors gave a lot of promising …

Remdesivir and ledipasvir among the FDA-approved antiviral drugs have potential to inhibit SARS-CoV-2 replication

RH Pirzada, M Haseeb, M Batool, MS Kim, S Choi - Cells, 2021 - mdpi.com
The rapid spread of the virus, the surge in the number of deaths, and the unavailability of
specific SARS-CoV-2 drugs thus far necessitate the identification of drugs with anti-COVID …

Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis

F Kabinger, C Stiller, J Schmitzová… - Nature structural & …, 2021 - nature.com
Molnupiravir is an orally available antiviral drug candidate currently in phase III trials for the
treatment of patients with COVID-19. Molnupiravir increases the frequency of viral RNA …

Preferability of Molnupiravir, an Anti-COVID-19 Drug, toward Purine Nucleosides: A Quantum Mechanical Study

MAA Ibrahim, MNI Shehata, NAM Moussa… - ACS …, 2023 - ACS Publications
Structural aspects of molnupiravir complexed with the RNA of the SARS-CoV-2 virus have
been recently resolved inside the RNA-dependent RNA polymerase (RdRp), demonstrating …

Structural basis for Nirmatrelvir in vitro efficacy against SARS-CoV-2 variants

SE Greasley, S Noell, O Plotnikova, RA Ferre, W Liu… - BioRxiv, 2022 - biorxiv.org
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 …

[HTML][HTML] Comparative molecular docking and simulation analysis of molnupiravir and remdesivir with SARS-CoV-2 RNA dependent RNA polymerase (RdRp)

SM Patil, KR Maruthi, SN Bajpe, VM Vyshali… - …, 2021 - ncbi.nlm.nih.gov
Abstract Treatment of SARS-CoV-2 targeting its RNA dependent RNA polymerase (RdRp) is
of current interest. Remdesivir has been approved for the treatment of COVID-19 around the …

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

F Byléhn, 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 …

Computational study of SARS-CoV-2 rna dependent rna polymerase allosteric site inhibition

S Faisal, SL Badshah, B Kubra, M Sharaf, AH Emwas… - Molecules, 2021 - mdpi.com
The COVID-19 pandemic has caused millions of fatalities since 2019. Despite the
availability of vaccines for this disease, new strains are causing rapid ailment and are a …

State-of-the-Art molecular dynamics simulation studies of RNA-dependent RNA polymerase of SARS-CoV-2

S Tanimoto, SG Itoh, H Okumura - International Journal of Molecular …, 2022 - mdpi.com
Molecular dynamics (MD) simulations are powerful theoretical methods that can reveal
biomolecular properties, such as structure, fluctuations, and ligand binding, at the level of …

Detailed molecular interactions of favipiravir with SARS-CoV-2, SARS-CoV, MERS-CoV, and influenza virus polymerases in silico

M Sada, T Saraya, H Ishii, K Okayama, Y Hayashi… - Microorganisms, 2020 - mdpi.com
Favipiravir was initially developed as an antiviral drug against influenza and is currently
used in clinical trials against severe acute respiratory syndrome coronavirus-2 (SARS-CoV …