Drug targets for corona virus: A systematic review
M Prajapat, P Sarma, N Shekhar, P Avti… - Indian journal of …, 2020 - journals.lww.com
Abstract The 2019-novel coronavirus (nCoV) is a major source of disaster in the 21 th
century. However, the lack of specific drugs to prevent/treat an attack is a major need at this …
century. However, the lack of specific drugs to prevent/treat an attack is a major need at this …
Targeting SARS-CoV-2 proteases and polymerase for COVID-19 treatment: state of the art and future opportunities
The newly emerged coronavirus, called SARS-CoV-2, is the causing pathogen of pandemic
COVID-19. The identification of drugs to treat COVID-19 and other coronavirus diseases is …
COVID-19. The identification of drugs to treat COVID-19 and other coronavirus diseases is …
[HTML][HTML] Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
A new coronavirus, known as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2), is the aetiological agent responsible for the 2019–2020 viral pneumonia outbreak of …
2), is the aetiological agent responsible for the 2019–2020 viral pneumonia outbreak of …
α-Ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication: structure-based design, synthesis, and activity assessment
L Zhang, D Lin, Y Kusov, Y Nian, Q Ma… - Journal of medicinal …, 2020 - ACS Publications
The main protease of coronaviruses and the 3C protease of enteroviruses share a similar
active-site architecture and a unique requirement for glutamine in the P1 position of the …
active-site architecture and a unique requirement for glutamine in the P1 position of the …
Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332
Y Zhao, C Fang, Q Zhang, R Zhang, X Zhao, Y Duan… - Protein & cell, 2022 - Springer
Since December 2019, the pandemic of coronavirus disease 2019 (COVID-19) has taken a
heavy toll on global health, creating an urgent need to develop effective strategies for …
heavy toll on global health, creating an urgent need to develop effective strategies for …
Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur
The antineoplastic drug carmofur is shown to inhibit the SARS-CoV-2 main protease (Mpro).
Here, the X-ray crystal structure of Mpro in complex with carmofur reveals that the carbonyl …
Here, the X-ray crystal structure of Mpro in complex with carmofur reveals that the carbonyl …
A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2
The main protease of SARS-CoV-2 is one of the important targets to design and develop
antiviral drugs. In this study, we have selected 40 antiviral phytochemicals to find out the …
antiviral drugs. In this study, we have selected 40 antiviral phytochemicals to find out the …
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 …
proteases share a structurally conserved substrate-binding region.•The structure and …
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
We present a supercomputer-driven pipeline for in silico drug discovery using enhanced
sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use …
sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use …
Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity
The recent novel coronavirus, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-
CoV-2/2019-nCoV) has caused a large number of deaths around the globe. There is an …
CoV-2/2019-nCoV) has caused a large number of deaths around the globe. There is an …