Intermolecular interaction among Remdesivir, RNA and RNA-dependent RNA polymerase of SARS-CoV-2 analyzed by fragment molecular orbital calculation

K Kato, T Honma, K Fukuzawa - Journal of Molecular Graphics and …, 2020 - Elsevier
COVID-19, a disease caused by a new strain of coronavirus (SARS-CoV-2) originating from
Wuhan, China, has now spread around the world, triggering a global pandemic, leaving the …

SARS-CoV-2 RNA dependent RNA polymerase (RdRp)–a drug repurposing study

J Ahmad, S Ikram, F Ahmad, IU Rehman, M Mushtaq - Heliyon, 2020 - cell.com
The outbreak of SARS-CoV-2 in December 2019 in China subsequently lead to a pandemic.
Lack of vaccine and specific anti-viral drugs started a global health disaster. For a sustained …

Ritonavir may inhibit exoribonuclease activity of nsp14 from the SARS-CoV-2 virus and potentiate the activity of chain terminating drugs

N Narayanan, DT Nair - International Journal of Biological Macromolecules, 2021 - Elsevier
SARS-CoV-2is the causative agent for the ongoing COVID19 pandemic, and this virus
belongs to the Coronaviridae family. The nsp14 protein of SARS-CoV-2 houses a 3′ to 5 …

Anti-HCV, nucleotide inhibitors, repurposing against COVID-19

AA Elfiky - Life sciences, 2020 - Elsevier
Aims A newly emerged Human Coronavirus (HCoV) is reported two months ago in Wuhan,
China (COVID-19). Until today> 2700 deaths from the 80,000 confirmed cases reported …

Development of remdesivir repositioning as a nucleotide analog against COVID-19 RNA dependent RNA polymerase

MMN Babadaei, A Hasan, Y Vahdani… - Journal of …, 2021 - Taylor & Francis
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative
representative of a severe respiratory illness resulted in widespread human infections and …

Decoding molnupiravir-induced mutagenesis in SARS-CoV-2

L Menéndez-Arias - Journal of Biological Chemistry, 2021 - ASBMB
Molnupiravir, a prodrug of the nucleoside derivative β-DN 4-hydroxycytidine (NHC), is
currently in clinical trials for COVID-19 therapy. However, the biochemical mechanisms …

A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro

H Zhang, Y Yang, J Li, M Wang… - PLoS computational …, 2020 - journals.plos.org
The spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus poses
serious threats to the global public health and leads to worldwide crisis. No effective drug or …

Structural basis of the potential binding mechanism of remdesivir to SARS-CoV-2 RNA-dependent RNA polymerase

L Zhang, R Zhou - The Journal of Physical Chemistry B, 2020 - ACS Publications
Starting from late 2019, the coronavirus disease 2019 (COVID-19) has emerged as a once-
in-a-century pandemic with deadly consequences, which urgently calls for new treatments …

In silico identification of novel benzophenone–coumarin derivatives as SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) inhibitors

SM Patil, RM Martiz, R Ramu, PS Shirahatti… - Journal of …, 2022 - Taylor & Francis
In this study, we propose our novel benzophenone–coumarin derivatives (BCDs) as potent
inhibitors of the RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 virus, one of the …

Predicting antiviral resistance mutations in SARS-CoV-2 main protease with computational and experimental screening

VM Sasi, S Ullrich, J Ton, SE Fry, J Johansen-Leete… - Biochemistry, 2022 - ACS Publications
The main protease (Mpro) of SARS-CoV-2 is essential for viral replication and has been the
focus of many drug discovery efforts since the start of the COVID-19 pandemic. Nirmatrelvir …