Tomić Draško, Davidović Davor, Szasz Attila Marcel, Rezeli Melinda, Pirkić Boris, Petrik Jozsef, Vrca Vesna Bačić, Janđel Vladimir, Lipić Tomislav, Skala Karolj, Mesarić Josip, Periša Marija Milković, Šojat Zorislav, Rogina Branka Medved
Center for Informatics and Computing, Ruđer Bošković Institute, Zagreb, Croatia.
Department of Tumor Biology, National Koranyi Institute of Pulmonology, Korányi Frigyes út 1, Budapest, H-1121, Hungary.
Inform Med Unlocked. 2021;23:100529. doi: 10.1016/j.imu.2021.100529. Epub 2021 Jan 30.
Spike glycoprotein is essential for the reproduction of the SARS-CoV-2 virus, and its inhibition using already approved antiviral drugs may open new avenues for treatment of patients with the COVID-19 disease. Because of that we analyzed the inhibition of SARS-CoV-2 spike glycoprotein with FDA-approved antiviral drugs and their double and triple combinations. We used the VINI in silico model of cancer to perform this virtual drug screening, showing HIV drugs to be the most effective. Besides, the combination of cobicistat-abacavir-rilpivirine HIV drugs demonstrated the highest in silico efficacy of inhibiting SARS-CoV-2 spike glycoprotein. Therefore, a clinical trial of cobicistat-abacavir-rilpivirine on a limited number of COVID-19 patients in moderately severe and severe condition is warranted.
刺突糖蛋白对于严重急性呼吸综合征冠状病毒2（SARS-CoV-2）病毒的复制至关重要，使用已获批的抗病毒药物对其进行抑制可能为治疗2019冠状病毒病（COVID-19）患者开辟新途径。因此，我们分析了美国食品药品监督管理局（FDA）批准的抗病毒药物及其双重和三重组合对SARS-CoV-2刺突糖蛋白的抑制作用。我们使用癌症的VINI计算机模拟模型进行这种虚拟药物筛选，结果显示抗艾滋病病毒（HIV）药物最为有效。此外，考比司他-阿巴卡韦-利匹韦林这三种HIV药物的组合在计算机模拟中对抑制SARS-CoV-2刺突糖蛋白显示出最高的效力。因此，有必要对有限数量的中度和重度COVID-19患者进行考比司他-阿巴卡韦-利匹韦林的临床试验。
