Acyclovir is an established antiviral agent. The global emergence of the coronavirus disease 2019 (COVID-19) pandemic brought forth the necessity to investigate potential therapeutic attributes of existing drugs, including acyclovir, to combat this novel virus. The primary focus of this research was to assess the theoretical bioactivities of acyclovir derivatives and to evaluate their molecular docking capacities, thereby determining their prospective application in treating COVID-19.
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