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 …
[HTML][HTML] Molecular modeling in drug discovery
With the financial requirements and high time associated with bringing a commercial drug to
the market, the application of computer-aided drug design has been recognized as a …
the market, the application of computer-aided drug design has been recognized as a …
Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review
Severe acute respiratory syndrome-associated coronavirus (SARS-CoV) identified in 2003
infected∼ 8000 people in 26 countries with 800 deaths, which was soon contained and …
infected∼ 8000 people in 26 countries with 800 deaths, which was soon contained and …
Recent advances in SARS-CoV-2 main protease inhibitors: from nirmatrelvir to future perspectives
A Citarella, A Dimasi, D Moi, D Passarella, A Scala… - Biomolecules, 2023 - mdpi.com
The main protease (Mpro) plays a pivotal role in the replication of severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) and is considered a highly conserved viral target …
syndrome coronavirus 2 (SARS-CoV-2) and is considered a highly conserved viral target …
Structure-based discovery of a novel allosteric inhibitor against human dopamine transporter
S Deng, H Zhang, R Gou, D Luo, Z Liu… - Journal of chemical …, 2023 - ACS Publications
Human dopamine transporter (hDAT) regulates the reuptake of extracellular dopamine (DA)
and is an essential therapeutic target for central nervous system (CNS) diseases. The …
and is an essential therapeutic target for central nervous system (CNS) diseases. The …
Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
[HTML][HTML] Medicinal chemistry strategies towards the development of effective SARS-CoV-2 inhibitors
S Gao, T Huang, L Song, S Xu, Y Cheng… - … Pharmaceutica Sinica B, 2022 - Elsevier
Novel therapies are urgently needed to improve global treatment of SARS-CoV-2 infection.
Herein, we briefly provide a concise report on the medicinal chemistry strategies towards the …
Herein, we briefly provide a concise report on the medicinal chemistry strategies towards the …
Curcumin inhibits spike protein of new SARS-CoV-2 variant of concern (VOC) Omicron, an in silico study
Abstract Background Omicron (B. 1.1. 529), a variant of SARS-CoV-2 is currently spreading
globally as a dominant strain. Due to multiple mutations at its Spike protein, including 15 …
globally as a dominant strain. Due to multiple mutations at its Spike protein, including 15 …
Novel CYP11A1-derived vitamin D and lumisterol biometabolites for the management of COVID-19
S Qayyum, RM Slominski, C Raman, AT Slominski - Nutrients, 2022 - mdpi.com
Vitamin D deficiency is associated with a higher risk of SARS-CoV-2 infection and poor
outcomes of the COVID-19 disease. However, a satisfactory mechanism explaining the …
outcomes of the COVID-19 disease. However, a satisfactory mechanism explaining the …
Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulations
S Liang, X Liu, S Zhang, M Li, Q Zhang… - Physical Chemistry …, 2022 - pubs.rsc.org
The outbreak caused by SARS-CoV-2 has received extensive worldwide attention. As the
main protease (Mpro) in SARS-CoV-2 has no human homologues, it is feasible to reduce …
main protease (Mpro) in SARS-CoV-2 has no human homologues, it is feasible to reduce …