Drug repurposing approach to fight COVID-19

TU Singh, S Parida, MC Lingaraju, M Kesavan… - Pharmacological …, 2020 - Springer
Currently, there are no treatment options available for the deadly contagious disease,
coronavirus disease 2019 (COVID-19). Drug repurposing is a process of identifying new …

Potential SARS-CoV-2 main protease inhibitors

R Banerjee, L Perera, LMV Tillekeratne - Drug Discovery Today, 2021 - Elsevier
Highlights•The SARS-CoV-2 main protease is a prime drug target.•Coronavirus main
proteases share a structurally conserved substrate-binding region.•The structure and …

Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors

SA Amin, S Banerjee, K Ghosh, S Gayen… - Bioorganic & medicinal …, 2021 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) brutally perils physical and
mental health worldwide. Unavailability of effective anti-viral drug rendering global threat of …

Small molecules in the treatment of COVID-19

S Lei, X Chen, J Wu, X Duan, K Men - Signal transduction and targeted …, 2022 - nature.com
The outbreak of COVID-19 has become a global crisis, and brought severe disruptions to
societies and economies. Until now, effective therapeutics against COVID-19 are in high …

A Comprehensive Review on Cannabis sativa Ethnobotany, Phytochemistry, Molecular Docking and Biological Activities

S Hourfane, H Mechqoq, AY Bekkali, JM Rocha… - Plants, 2023 - mdpi.com
For more than a century, Cannabis was considered a narcotic and has been banned by
lawmakers all over the world. In recent years, interest in this plant has increased due to its …

Structure-Based Discovery of Novel Nonpeptide Inhibitors Targeting SARS-CoV-2 Mpro

J Yang, X Lin, N Xing, Z Zhang, H Zhang… - Journal of Chemical …, 2021 - ACS Publications
The continual spread of novel coronavirus disease 2019 (COVID-19) is caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), posing a severe threat to the …

Benchmark of popular free energy approaches revealing the inhibitors binding to SARS-CoV-2 Mpro

ST Ngo, NM Tam, MQ Pham… - Journal of Chemical …, 2021 - ACS Publications
The COVID-19 pandemic has killed millions of people worldwide since its outbreak in
December 2019. The pandemic is caused by the SARS-CoV-2 virus whose main protease …

Benchmarking the ability of common docking programs to correctly reproduce and score binding modes in SARS-CoV-2 protease Mpro

S Zev, K Raz, R Schwartz, R Tarabeh… - Journal of Chemical …, 2021 - ACS Publications
The coronavirus SARS-CoV-2 main protease, Mpro, is conserved among coronaviruses with
no human homolog and has therefore attracted significant attention as an enzyme drug …

Molecular basis of SARS-CoV-2 infection and rational design of potential antiviral agents: modeling and simulation approaches

A Frances-Monerris, C Hognon, T Miclot… - Journal of Proteome …, 2020 - ACS Publications
The emergence in late 2019 of the coronavirus SARS-CoV-2 has resulted in the
breakthrough of the COVID-19 pandemic that is presently affecting a growing number of …

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 …