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 non-covalent SARS-CoV-2 Mpro inhibitors
L Song, S Gao, B Ye, M Yang, Y Cheng, D Kang… - … Pharmaceutica Sinica B, 2024 - Elsevier
The main protease (M pro) of SARS-CoV-2 is an attractive target in anti-COVID-19 therapy
for its high conservation and major role in the virus life cycle. The covalent M pro inhibitor …
for its high conservation and major role in the virus life cycle. The covalent M pro inhibitor …
Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules
Recent explosive growth of 'make-on-demand'chemical libraries brought unprecedented
opportunities but also significant challenges to the field of computer-aided drug discovery …
opportunities but also significant challenges to the field of computer-aided drug discovery …
[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 …
Inhibitors of SARS-CoV-2 main protease (Mpro) as anti-coronavirus agents
A Zagórska, A Czopek, M Fryc, J Jończyk - Biomolecules, 2024 - pmc.ncbi.nlm.nih.gov
The main protease (Mpro) of SARS-CoV-2 is an essential enzyme that plays a critical part in
the virus's life cycle, making it a significant target for developing antiviral drugs. The …
the virus's life cycle, making it a significant target for developing antiviral drugs. The …
On the origins of SARS-CoV-2 main protease inhibitors
YL Janin - RSC Medicinal Chemistry, 2024 - pubs.rsc.org
In order to address the world-wide health challenge caused by the COVID-19 pandemic, the
3CL protease/SARS-CoV-2 main protease (SARS-CoV-2-Mpro) coded by its nsp5 gene …
3CL protease/SARS-CoV-2 main protease (SARS-CoV-2-Mpro) coded by its nsp5 gene …
Characterization of the non-covalent interaction between the PF-07321332 inhibitor and the SARS-CoV-2 main protease
M Macchiagodena, M Pagliai, P Procacci - Journal of Molecular Graphics …, 2022 - Elsevier
We have studied the non-covalent interaction between PF-07321332 and SARS-CoV-2
main protease at the atomic level using a computational approach based on extensive …
main protease at the atomic level using a computational approach based on extensive …
Investigation of Potential Drug Targets Involved in Inflammation Contributing to Alzheimer's Disease Progression
Alzheimer's disease has become a major public health issue. While extensive research has
been conducted in the last few decades, few drugs have been approved by the FDA to treat …
been conducted in the last few decades, few drugs have been approved by the FDA to treat …
Synthesis, molecular docking, and binding Gibbs free energy calculation of β-nitrostyrene derivatives: Potential inhibitors of SARS-CoV-2 3CL protease
Z Jia, X Lan, K Lu, X Meng, W Jing, S Jia, K Zhao… - Journal of Molecular …, 2023 - Elsevier
The outbreak of novel coronavirus disease 2019 (COVID-19), caused by the novel
coronavirus (SARS-CoV-2), has had a significant impact on human health and the economic …
coronavirus (SARS-CoV-2), has had a significant impact on human health and the economic …
Investigation of potential drug targets for cholesterol regulation to treat Alzheimer's disease
Despite extensive research and seven approved drugs, the complex interplay of genes,
proteins, and pathways in Alzheimer's disease remains a challenge. This implies the …
proteins, and pathways in Alzheimer's disease remains a challenge. This implies the …