Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

RETRACTED: Artemisia Extracts and Artemisinin-Based Antimalarials for COVID-19 Management: Could These Be Effective Antivirals for COVID-19 Treatment?

PK Agrawal, C Agrawal, G Blunden - Molecules, 2022 - mdpi.com
As the world desperately searches for ways to treat the coronavirus disease 2019 (COVID-
19) pandemic, a growing number of people are turning to herbal remedies. The Artemisia …

Novel investigational anti-SARS-CoV-2 agent ensitrelvir “S-217622”: a very promising potential universal broad-spectrum antiviral at the therapeutic frontline of …

WA Eltayb, M Abdalla, AM Rabie - ACS omega, 2023 - ACS Publications
Lately, nitrogenous heterocyclic antivirals, such as nucleoside-like compounds, oxadiazoles,
thiadiazoles, triazoles, quinolines, and isoquinolines, topped the therapeutic scene as …

Promising experimental anti-SARS-CoV-2 agent “SLL-0197800”: the prospective universal inhibitory properties against the coming versions of the coronavirus

AM Rabie, MA Abdel-Dayem, M Abdalla - ACS omega, 2023 - ACS Publications
Isoquinoline derivatives having some nucleosidic structural features are considered as
candidate choices for effective remediation of the different severe acute respiratory …

Forodesine and Riboprine Exhibit Strong Anti-SARS-CoV-2 Repurposing Potential: In Silico and In Vitro Studies

AM Rabie, M Abdalla - ACS bio & med Chem Au, 2022 - ACS Publications
Lately, nucleos (t) ide antivirals topped the scene as top options for the treatment of
coronavirus disease 2019 (COVID-19) caused by the severe acute respiratory syndrome …

Potent dual polymerase/exonuclease inhibitory activities of antioxidant aminothiadiazoles against the COVID-19 omicron virus: a promising in silico/in vitro …

AM Rabie, WA Eltayb - Molecular Biotechnology, 2024 - Springer
Recently, natural and synthetic nitrogenous heterocyclic antivirals topped the scene as first
choices for the treatment of the severe acute respiratory syndrome coronavirus 2 (SARS …

Evaluation of a series of nucleoside analogs as effective anticoronaviral-2 drugs against the Omicron-B. 1.1. 529/BA. 2 subvariant: a repurposing research study

AM Rabie, M Abdalla - Medicinal Chemistry Research, 2023 - Springer
Mysterious evolution of a new strain of the severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2), the Omicron variant, led to a new challenge in the persistent coronavirus …

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 …

Dual computational and biological assessment of some promising nucleoside analogs against the COVID-19-Omicron variant

M Abdalla, AM Rabie - Computational Biology and Chemistry, 2023 - Elsevier
Abstract Nucleoside analogs/derivatives (NAs/NDs) with potent antiviral activities are now
deemed very convenient choices for the treatment of coronavirus disease 2019 (COVID-19) …

[HTML][HTML] Deciphering antiviral efficacy of malaria box compounds against malaria exacerbating viral pathogens-Epstein Barr virus and SARS-CoV-2, an in silico study

O Indari, AK Singh, D Tiwari, HC Jha, AN Jha - Medicine in Drug Discovery, 2022 - Elsevier
In malaria endemic countries, coinfections and cotransmissions of different viral pathogens
are widely reported. Prior studies have shown that malaria can trigger the Epstein-Barr virus …