Molecular Docking against SARS-CoV-2 Variants, Antiviral, Dynamics and Quantum Chemical Modeling of Mannopyranoside Derivatives

2023/10/19 by Kawsar, S. M. A., Ferdous, J., Hossain, M. K. +3
#ADMET #Docking #Molecular dynamics #PASS #Spike glycoprotein alpha #beta and delta variant

paper · doi:10.48317/imist.prsm/morjchem-v11i04.42045

Abstract

Researchers worldwide are prompting their hard and soul effort to develop the best possible therapeutic options to eliminate vaccination-related difficulties to effectively manage SARS-CoV-2, which is now sweeping the world. The present study was undertaken to investigate the computational properties of methyl α-D-mannopyranoside and its designed derivatives to assess their thermophysical and biochemical parameters. The PASS prediction score was reported to be 0.233

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