Targeting SARS-CoV-2 main protease for treatment of COVID-19: covalent inhibitors structure–activity relationship insights and evolution perspectives
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 …
in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO …
Inhibitors of SARS-CoV-2 main protease (Mpro) as anti-coronavirus agents
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 develo** antiviral drugs. The …
the virus's life cycle, making it a significant target for develo** antiviral drugs. The …
Lead discovery of SARS-CoV-2 main protease inhibitors through covalent docking-based virtual screening
G Amendola, R Ettari, S Previti, C Di Chio… - Journal of Chemical …, 2021 - ACS Publications
During almost all 2020, coronavirus disease 2019 (COVID-19) pandemic has constituted the
major risk for the worldwide health and economy, propelling unprecedented efforts to …
major risk for the worldwide health and economy, propelling unprecedented efforts to …
Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices
The continuous approval of covalent drugs in recent years for the treatment of diseases has
led to an increased search for covalent agents by medicinal chemists and computational …
led to an increased search for covalent agents by medicinal chemists and computational …
Identification of a dual acting SARS-CoV-2 proteases inhibitor through in silico design and step-by-step biological characterization
V Di Sarno, G Lauro, S Musella, T Ciaglia… - European Journal of …, 2021 - Elsevier
COVID-19 pandemic, starting from the latest 2019, and caused by SARS-CoV-2 pathogen,
led to the hardest health-socio-economic disaster in the last century. Despite the …
led to the hardest health-socio-economic disaster in the last century. Despite the …
Discovery and characterization of the covalent SARS-CoV-2 3CLpro inhibitors from Ginkgo biloba extract via integrating chemoproteomic and biochemical …
YN Zhang, GH Zhu, W Liu, Y **ong, Q Hu, XY Zhuang… - Phytomedicine, 2023 - Elsevier
Background The 3C-like proteases (3CL pro s) are cysteine-rich homodimeric proteins and
can be covalently modified by numerous natural and synthetic compounds, which in turn …
can be covalently modified by numerous natural and synthetic compounds, which in turn …
[HTML][HTML] Application of artificial intelligence in COVID-19 medical area: a systematic review
Z Chang, Z Zhan, Z Zhao, Z You, Y Liu… - Journal of Thoracic …, 2021 - ncbi.nlm.nih.gov
Background Coronavirus disease 2019 (COVID-19) has caused a large-scale global
epidemic, impacting international politics and the economy. At present, there is no …
epidemic, impacting international politics and the economy. At present, there is no …
Antiviral phytochemicals as potent inhibitors against NS3 protease of dengue virus
Dengue, a mosquito-borne disease, has appeared as a major infectious disease globally.
The virus requires its proteins to replicate and reproduce in the host cell. The NS3 protease …
The virus requires its proteins to replicate and reproduce in the host cell. The NS3 protease …
Recent advances in the design of small molecular drugs with acrylamides covalent warheads
L Liang, Z Zhang, Q You, X Guo - Bioorganic & Medicinal Chemistry, 2024 - Elsevier
In the development of covalent inhibitors, acrylamides warhead is one of the most popular
classes of covalent warheads. In recent years, researchers have made different structural …
classes of covalent warheads. In recent years, researchers have made different structural …
Combined Computational NMR and Molecular Docking Scrutiny of Potential Natural SARS-CoV-2 Mpro Inhibitors
VA Semenov, LB Krivdin - The Journal of Physical Chemistry B, 2022 - ACS Publications
In continuation of the search for potential drugs that inhibit the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), in this work, a combined approach based on the …
syndrome coronavirus 2 (SARS-CoV-2), in this work, a combined approach based on the …