Theoretical biological activities and docking studies of new derivatives of acyclovir for the treatment of coronavirus disease 2019.

Q3 Medicine Journal of Medicine and Life Pub Date : 2024-09-01 DOI:10.25122/jml-2023-0335
Muthanna Saadi Farhan
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引用次数: 0

Abstract

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. A set of 22 ligand molecules derived from acyclovir were carefully selected for this study. Using the one-click docking technique, these derivatives underwent molecular interactions with specific proteins sourced from the Protein Data Bank, identified by IDs 1R4L, 1S49, 1AJ6, and 1PVG. The molecular docking analysis revealed that acyclovir derivatives no. 3, 5, 8, and 14 displayed the highest docking scores and could be potential candidates as therapeutic agents against COVID-19 based on these scores. Further experimental validations are essential to establish their efficacy in clinical settings.

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来源期刊
Journal of Medicine and Life
Journal of Medicine and Life Medicine-Medicine (all)
CiteScore
1.90
自引率
0.00%
发文量
202
期刊介绍: The Journal of Medicine and Life publishes peer-reviewed articles from various fields of medicine and life sciences, including original research, systematic reviews, special reports, case presentations, major medical breakthroughs and letters to the editor. The Journal focuses on current matters that lie at the intersection of biomedical science and clinical practice and strives to present this information to inform health care delivery and improve patient outcomes. Papers addressing topics such as neuroprotection, neurorehabilitation, neuroplasticity, and neuroregeneration are particularly encouraged, as part of the Journal''s continuous interest in neuroscience research. The Editorial Board of the Journal of Medicine and Life is open to consider manuscripts from all levels of research and areas of biological sciences, including fundamental, experimental or clinical research and matters of public health. As part of our pledge to promote an educational and community-building environment, our issues feature sections designated to informing our readers regarding exciting international congresses, teaching courses and relevant institutional-level events.
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