İsmail Çelik, Ezgi Gülten, Arzu Onay-Beşikci, Güle Çınar, İrem Akdemir-Kalkan, Gülgün Kılcıgil, K Osman Memikoğlu, M Serhat Birengel, Alpay Azap
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引用次数: 0
Abstract
Objective: Highly contagious character of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and the lack of specific drugs have led many scientists worldwide to re-evaluate the molecules currently in use for other diseases/viruses. Thus, high-throughput screening with docking studies has the rationale to identify potential therapeutics from existing drug molecules. Conflicting results of the studies, including SARS-CoV-2 and human immunodeficiency virus (HIV) coinfected population, suggested a possible preventive effect of antiretroviral regimens they have been receiving.
Materials and methods: Interactions between the widely used antiretroviral molecules, in particular; abacavir, cobicistat, dolutegravir, elvitegravir, emtricitabine, lamivudine, raltegravir, and tenofovir, and the main proteins on SARS-CoV-2 that may be targeted for SARS-CoV-2 infection were analyzed using molecular docking studies.
Results: Analysis of the compounds strikingly revealed that not the antiretroviral drugs but cobicistat and ritonavir, the inhibitors of cytochrome P450, had strong interactions with the main protease active site and RNA polymerase on SARS-CoV-2, as well as the active site of angiotensin-converting-enzyme 2, the protein that enables the entry of the virus into human cells.
Conclusion: Our results suggest cobicistat and ritonavir may be used to prevent SARS-CoV-2 infection.
期刊介绍:
Experimental Heat Transfer provides a forum for experimentally based high quality research articles and communications in the general area of heat-mass transfer and the related energy fields.
In addition to the established multifaceted areas of heat transfer and the associated thermal energy conversion, transport, and storage, the journal also communicates contributions from new and emerging areas of research such as micro- and nanoscale science and technology, life sciences and biomedical engineering, manufacturing processes, materials science, and engineering. Heat transfer plays an important role in all of these areas, particularly in the form of innovative experiments and systems for direct measurements and analysis, as well as to verify or complement theoretical models.
All submitted manuscripts are subject to initial appraisal by the Editor, and, if found suitable for further consideration, to peer review by independent, anonymous expert referees. All peer reviews are single blind and submission is online via ScholarOne Manuscripts. Original, normal size articles, as well as technical notes are considered. Review articles require previous communication and approval by the Editor before submission for further consideration.