Computational approaches for identifying bioactive compounds inhibiting SARS-CoV-2 main protease
Piyatida Pojtanadithee
Abstract:The infectious disease caused by the novel coronavirus 2019 has devastatingly affected the global economy and society.�However, the drug discovery process from concept to approval requires a significant investment of time and resources. To address these challenges, we�employed�structure-based virtual screening techniques,�including drug-likeness screening, pharmacophore-based virtual�screening, molecular docking, molecular dynamics simulation, and fragment molecular orbital calculation.�The protein target of t… Show more
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