Chronic Diseases Prevention Review (Online ISSN: 2158-0820)

Cancer Cell Research 2024 8(29) 939-942; published online  20 April 2024

Abstract:Coronavirus disease 2019 (COVID-19) has an unprecedented global health crisis and economic disruptive impact, which is initiated by the spike protein of severe acute respiratory syndrome coronavirus (SARS-COV-2) binding to the angiotensin-converting enzyme 2 (ACE2) receptor of human cells. To identify potential inhibitors of SARS-CoV-2 spike protein, molecular docking-based virtual screening FDA-approved compound library was performed. Primaquine has more favorable docking scores than remdesivir, which are -8.910 and -5.725 kcal/mol, respectively. Primaquine formes hydrogen bonds with Glu35, Asp38, and Gly496 and cation-π interactions with Lys353, which contribute to the antiviral activity of primaquine. The study provides a valuable basis for the development of anti-novel coronavirus drugs.