Structural basis of potential inhibitors targeting SARS-CoV-2 main protease

HM Mengist, T Dilnessa, T Jin - Frontiers in Chemistry, 2021 - frontiersin.org
The Coronavirus disease-19 (COVID-19) pandemic is still devastating the world causing
significant social, economic, and political chaos. Corresponding to the absence of globally …

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 …

Discovery of S-217622, a noncovalent oral SARS-CoV-2 3CL protease inhibitor clinical candidate for treating COVID-19

Y Unoh, S Uehara, K Nakahara, H Nobori… - Journal of medicinal …, 2022 - ACS Publications
The coronavirus disease 2019 (COVID-19) pandemic, caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), has resulted in millions of deaths and threatens …

Main protease mutants of SARS-CoV-2 variants remain susceptible to nirmatrelvir

S Ullrich, KB Ekanayake, G Otting, C Nitsche - Bioorganic & Medicinal …, 2022 - Elsevier
The COVID-19 pandemic continues to be a public health threat. Multiple mutations in the
spike protein of emerging variants of SARS-CoV-2 appear to impact on the effectiveness of …

SARS-CoV-2 3CLpro mutations selected in a VSV-based system confer resistance to nirmatrelvir, ensitrelvir, and GC376

E Heilmann, F Costacurta, SA Moghadasi… - Science translational …, 2022 - science.org
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 …

The Substitutions L50F, E166A, and L167F in SARS-CoV-2 3CLpro Are Selected by a Protease Inhibitor In Vitro and Confer Resistance To Nirmatrelvir

D Jochmans, C Liu, K Donckers, A Stoycheva… - MBio, 2023 - Am Soc Microbiol
The SARS-CoV-2 main protease (3CLpro) has an indispensable role in the viral life cycle
and is a therapeutic target for the treatment of COVID-19. The potential of 3CLpro-inhibitors …

Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against Mpro and cathepsin L

MD Sacco, C Ma, P Lagarias, A Gao, JA Townsend… - Science …, 2020 - science.org
The main protease (Mpro) of SARS-CoV-2 is a key antiviral drug target. While most Mpro
inhibitors have a γ-lactam glutamine surrogate at the P1 position, we recently found that …

[HTML][HTML] Paxlovid (Nirmatrelvir/Ritonavir): A new approach to Covid-19 therapy?

SMR Hashemian, A Sheida, M Taghizadieh… - Biomedicine & …, 2023 - Elsevier
Despite the need for novel, effective therapeutics for the COVID-19 pandemic, no curative
regimen is yet available, therefore patients are forced to rely on supportive and nonspecific …

An updated review of computer‐aided drug design and its application to COVID‐19

AB Gurung, MA Ali, J Lee, MA Farah… - BioMed research …, 2021 - Wiley Online Library
The recent outbreak of the deadly coronavirus disease 19 (COVID‐19) pandemic poses
serious health concerns around the world. The lack of approved drugs or vaccines continues …

Targeting SARS-CoV-2 main protease for treatment of COVID-19: covalent inhibitors structure–activity relationship insights and evolution perspectives

G La Monica, A Bono, A Lauria… - Journal of medicinal …, 2022 - ACS Publications
The viral main protease is one of the most attractive targets among all key enzymes involved
in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO …