SARS-CoV-2 Infection may be Prevented with Cytochrome Inhibitors: Cobicistat and Ritonavir.

IF 2.5 3区工程技术 Q2 ENGINEERING, MECHANICAL

Experimental Heat Transfer Pub Date : 2022-09-26 eCollection Date: 2022-09-01 DOI:10.36519/idcm.2022.139

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.

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细胞色素抑制剂可预防 SARS-CoV-2 感染：Cobicistat 和 Ritonavir。

目的：严重急性呼吸系统综合症冠状病毒 2（SARS-CoV-2）具有高度传染性，而且缺乏特效药物，这促使全球许多科学家重新评估目前用于其他疾病/病毒的分子。因此，利用对接研究进行高通量筛选有理由从现有的药物分子中找出潜在的治疗方法。包括 SARS-CoV-2 和人类免疫缺陷病毒（HIV）合并感染人群在内的研究结果相互矛盾，这表明他们所接受的抗逆转录病毒疗法可能具有预防作用：利用分子对接研究分析了广泛使用的抗逆转录病毒分子，特别是阿巴卡韦、考比司他、多托特拉韦、埃维特拉韦、恩曲他滨、拉米夫定、雷替拉韦和替诺福韦与 SARS-CoV-2 上可能针对 SARS-CoV-2 感染的主要蛋白质之间的相互作用：结果：对化合物的分析表明，除了抗逆转录病毒药物外，作为细胞色素 P450 抑制剂的氯比司他和利托那韦与 SARS-CoV-2 上的主要蛋白酶活性位点和 RNA 聚合酶以及血管紧张素转换酶 2（使病毒进入人体细胞的蛋白质）的活性位点有很强的相互作用：我们的研究结果表明，可比司他和利托那韦可用于预防 SARS-CoV-2 感染。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Experimental Heat Transfer 工程技术-工程：机械

CiteScore

6.30

自引率

37.10%

发文量

审稿时长

>12 weeks

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.