Cargando…

Dynamics of the SARS-CoV-2 main protease binding site

Detalles Bibliográficos
Autores principales:	Harith, Advaith S., Mallalieu, Sacha, Fuller, Amelia A., McCully, Michelle E.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Biophysical Society. Published by Elsevier Inc. 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9912803/ http://dx.doi.org/10.1016/j.bpj.2022.11.422

Ejemplares similares

Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation
por: Komatsu, Teruhisa S., et al.
Publicado: (2020)

Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations
por: Carli, Matteo, et al.
Publicado: (2020)

SARS-CoV-2 Main Protease Active Site Ligands in the Human Metabolome
por: Sardanelli, Anna Maria, et al.
Publicado: (2021)

Targeted design of drug binding sites in the main protease of SARS-CoV-2 reveals potential signatures of adaptation
por: Padhi, Aditya K., et al.
Publicado: (2021)

Understanding the role of water on temperature-dependent structural modifications of SARS CoV-2 main protease binding sites
por: Venugopal, Pushyaraga P., et al.
Publicado: (2022)

Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor
por: Kovalevsky, Andrey, et al.
Publicado: (2022)

Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease
por: Menéndez, Cintia A., et al.
Publicado: (2020)

Activation and maturation of SARS-CoV main protease
por: Xia, Bin, et al.
Publicado: (2011)

Allosteric Binding Sites of the SARS-CoV-2 Main Protease: Potential Targets for Broad-Spectrum Anti-Coronavirus Agents
por: Alzyoud, Lara, et al.
Publicado: (2022)

The conformational space of the SARS-CoV-2 main protease active site loops is determined by ligand binding and interprotomer allostery
por: Lee, Ethan, et al.
Publicado: (2023)

Computational analysis of dynamic allostery and control in the SARS-CoV-2 main protease
por: Dubanevics, Igors, et al.
Publicado: (2021)

Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors
por: Cardoso, Wesley B., et al.
Publicado: (2021)

Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease
por: Wan, Shunzhou, et al.
Publicado: (2021)

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
por: Pavlova, Anna, et al.
Publicado: (2020)

Inhibitor Binding Influences the Protonation State of Histidines in SARS-CoV-2 Main Protease
por: Pavlova, Anna, et al.
Publicado: (2021)

The SARS-CoV-2 main protease as drug target
por: Ullrich, Sven, et al.
Publicado: (2020)

Topological analysis of SARS CoV-2 main protease
por: Estrada, Ernesto
Publicado: (2020)

Potential SARS-CoV-2 main protease inhibitors
por: Banerjee, Riddhidev, et al.
Publicado: (2021)

Developing inhibitors of the SARS-CoV-2 main protease
por: Seitz, Christian, et al.
Publicado: (2022)

Allosteric Hotspots in the Main Protease of SARS-CoV-2
por: Strömich, Léonie, et al.
Publicado: (2022)

Allosteric inhibitors of the main protease of SARS-CoV-2
por: Samrat, Subodh Kumar, et al.
Publicado: (2022)

In silico exploration of binding potentials of anti SARS-CoV-1 phytochemicals against main protease of SARS-CoV-2
por: Al-Sehemi, Abdullah G., et al.
Publicado: (2022)

Dynamical Nonequilibrium Molecular Dynamics Simulations Identify Allosteric Sites and Positions Associated with Drug Resistance in the SARS-CoV-2 Main Protease
por: Chan, H. T. Henry, et al.
Publicado: (2023)

Unusual zwitterionic catalytic site of SARS–CoV-2 main protease revealed by neutron crystallography
por: Kneller, Daniel W., et al.
Publicado: (2020)

Asymmetric dynamics of dimeric SARS-CoV-2 and SARS-CoV main proteases in an apo form: Molecular dynamics study on fluctuations of active site, catalytic dyad, and hydration water
por: Iida, Shinji, et al.
Publicado: (2021)

The Effect of Point Mutations on Structure and Dynamics of SARS-CoV-2 Main Protease Mutants
por: Diessner, Elizabeth M., et al.
Publicado: (2021)

Molecular docking and dynamics simulation of main protease of SARS-CoV-2 with naproxen derivative
por: K Hussein, Rageh, et al.
Publicado: (2023)

Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors
por: Kovalevsky, Andrey, et al.
Publicado: (2023)

A Structural Comparison of SARS-CoV-2 Main Protease and Animal Coronaviral Main Protease Reveals Species-Specific Ligand Binding and Dimerization Mechanism
por: Ho, Chien-Yi, et al.
Publicado: (2022)

Biochemical screening for SARS-CoV-2 main protease inhibitors
por: Coelho, Camila, et al.
Publicado: (2020)

Structure of SARS-CoV-2 main protease in the apo state
por: Zhou, Xuelan, et al.
Publicado: (2020)

Correlation between dissociation and catalysis of SARS-CoV main protease
por: Lin, Pei-Ying, et al.
Publicado: (2008)

Copper(II) Inhibition of the SARS-CoV-2 Main Protease
por: Garza-López, Roberto A., et al.
Publicado: (2020)

Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors
por: Huff, Sarah, et al.
Publicado: (2021)

Fullerene derivatives as inhibitors of the SARS-CoV-2 main protease
por: Katagishi, Daiki, et al.
Publicado: (2023)

Optimization of the expression of the main protease from SARS-CoV-2
por: Rong, Yi, et al.
Publicado: (2023)

Potent and biostable inhibitors of the main protease of SARS-CoV-2
por: Tsuji, Kohei, et al.
Publicado: (2022)

Insights into the structural properties of SARS-CoV-2 main protease
por: Akbayrak, Ibrahim Yagiz, et al.
Publicado: (2022)

Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease
por: Wang, Qian, et al.
Publicado: (2023)

Characterization of host substrates of SARS-CoV-2 main protease
por: Melano, Ivonne, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_5f7bp7ra90p4d07appsm3p15kc