The SARS‐CoV‐2 main protease (Mpro): Structure, function, and emerging therapies for COVID‐19
Q Hu, Y Xiong, GH Zhu, YN Zhang, YW Zhang… - MedComm, 2022 - Wiley Online Library
The main proteases (Mpro), also termed 3‐chymotrypsin‐like proteases (3CLpro), are a
class of highly conserved cysteine hydrolases in β‐coronaviruses. Increasing evidence has …
class of highly conserved cysteine hydrolases in β‐coronaviruses. Increasing evidence has …
Targeting the dimerization of the main protease of coronaviruses: a potential broad-spectrum therapeutic strategy
A new coronavirus (CoV) caused a pandemic named COVID-19, which has become a
global health care emergency in the present time. The virus is referred to as SARS-CoV-2 …
global health care emergency in the present time. The virus is referred to as SARS-CoV-2 …
SARS-CoV-2 3CLpro mutations selected in a VSV-based system confer resistance to nirmatrelvir, ensitrelvir, and GC376
Protease inhibitors are among the most powerful antiviral drugs. Nirmatrelvir is the first
protease inhibitor specifically developed against the SARS-CoV-2 protease 3CLpro that has …
protease inhibitor specifically developed against the SARS-CoV-2 protease 3CLpro that has …
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory
syndrome–coronavirus 2 (SARS-CoV-2) is a global health emergency. An attractive drug …
syndrome–coronavirus 2 (SARS-CoV-2) is a global health emergency. An attractive drug …
Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19
N Muralidharan, R Sakthivel… - Journal of …, 2021 - Taylor & Francis
A novel coronavirus, formally named as severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2) has caused coronavirus disease 2019 (COVID-19) worldwide, and it is the …
(SARS-CoV-2) has caused coronavirus disease 2019 (COVID-19) worldwide, and it is the …
Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase
The recent pandemic associated with SARS-CoV-2, a virus of the Coronaviridae family, has
resulted in an unprecedented number of infected people. The highly contagious nature of …
resulted in an unprecedented number of infected people. The highly contagious nature of …
Targeting SARS-CoV-2 proteases for COVID-19 antiviral development
The emergence of severe acute respiratory syndrome (SARS-CoV-2) in 2019 marked the
third occurrence of a highly pathogenic coronavirus in the human population since 2003. As …
third occurrence of a highly pathogenic coronavirus in the human population since 2003. As …
New Insights into the Cooperativity and Dynamics of Dimeric Enzymes
KW Chen, TY Sun, YD Wu - Chemical Reviews, 2023 - ACS Publications
A survey of protein databases indicates that the majority of enzymes exist in oligomeric
forms, with about half of those found in the UniProt database being homodimeric …
forms, with about half of those found in the UniProt database being homodimeric …
De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations
AH Arshia, S Shadravan, A Solhjoo… - Computers in Biology …, 2021 - Elsevier
The main protease of SARS-CoV-2 is a critical target for the design and development of
antiviral drugs. 2.5 M compounds were used in this study to train an LSTM generative …
antiviral drugs. 2.5 M compounds were used in this study to train an LSTM generative …
Unraveling the SARS-CoV-2 main protease mechanism using multiscale methods
We present a detailed theoretical analysis of the reaction mechanism of proteolysis
catalyzed by the main protease of SARS-CoV-2. Using multiscale simulation methods, we …
catalyzed by the main protease of SARS-CoV-2. Using multiscale simulation methods, we …