Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach

The novel coronavirus disease that arises in the end of 2019 (COVID-19) in Wuhan, China, has rapidly spread over the globe and was considered as a world pandemic. Currently, various antiviral therapies or vaccines are available, and many researches are ongoing for further treatments. Targeting the c...

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Veröffentlicht in:	Applied biochemistry and biotechnology 2021-11, Vol.193 (11), p.3602-3623
Hauptverfasser:	El Bakri, Youness, Anouar, El Hassane, Ahmad, Sajjad, Nassar, Amal A., Taha, Mohamed Labd, Mague, Joel T., El Ghayati, Lhoussaine, Essassi, El Mokhtar
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino acids Antiviral activity Antiviral agents Antiviral Agents - chemical synthesis Antiviral Agents - chemistry Binding Sites Biochemistry Biological activity Biotechnology Catalytic Domain Chemical synthesis Chemistry Chemistry and Materials Science Coordination compounds Coronavirus 3C Proteases - antagonists & inhibitors Coronavirus 3C Proteases - chemistry Coronavirus 3C Proteases - metabolism Coronaviruses COVID-19 COVID-19 - virology Crystal structure Drug Discovery Humans Hydrophobicity Ligands Molecular docking Molecular Docking Simulation Molecular dynamics Molecular Dynamics Simulation Molecular interactions Molecular structure Original Original Article Pandemics Protease Protease Inhibitors - chemical synthesis Protease Inhibitors - chemistry Proteinase SARS-CoV-2 - chemistry SARS-CoV-2 - enzymology Severe acute respiratory syndrome coronavirus 2 Simulation Single crystals Stability Viral diseases
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