Division of Computer Aided Drug Design, Department of Pharmaceutical Chemistry, R.C. Patel Institute of Pharmaceutical Education and Research, Shirpur (Dhule), Maharashtra, 425405, India.
Top Curr Chem (Cham). 2021 Oct 8;379(6):40. doi: 10.1007/s41061-021-00353-7.
The highly infectious disease COVID-19 is induced by SARS-coronavirus 2 (SARS-CoV-2), which has spread rapidly around the globe and was announced as a pandemic by the World Health Organization (WHO) in March 2020. SARS-CoV-2 binds to the host cell's angiotensin converting enzyme 2 (ACE2) receptor through the viral surface spike glycoprotein (S-protein). ACE2 is expressed in the oral mucosa and can therefore constitute an essential route for entry of SARS-CoV-2 into hosts through the tongue and lung epithelial cells. At present, no effective treatments for SARS-CoV-2 are yet in place. Blocking entry of the virus by inhibiting ACE2 is more advantageous than inhibiting the subsequent stages of the SARS-CoV-2 life cycle. Based on current published evidence, we have summarized the different in silico based studies and repurposing of anti-viral drugs to target ACE2, SARS-CoV-2 S-Protein: ACE2 and SARS-CoV-2 S-RBD: ACE2. This review will be useful to researchers looking to effectively recognize and deal with SARS-CoV-2, and in the development of repurposed ACE2 inhibitors against COVID-19.
高度传染性疾病 COVID-19 是由严重急性呼吸系统综合征冠状病毒 2(SARS-CoV-2)引起的,该病毒在全球迅速传播,并于 2020 年 3 月被世界卫生组织(WHO)宣布为大流行。SARS-CoV-2 通过病毒表面刺突糖蛋白(S-蛋白)与宿主细胞的血管紧张素转换酶 2(ACE2)受体结合。ACE2 在口腔黏膜中表达,因此可以构成 SARS-CoV-2 通过舌头和肺上皮细胞进入宿主的重要途径。目前,尚无针对 SARS-CoV-2 的有效治疗方法。通过抑制 ACE2 来阻止病毒进入比抑制 SARS-CoV-2 生命周期的后续阶段更具优势。基于目前已发表的证据,我们总结了不同基于计算机的研究和抗病毒药物的重新利用,以针对 ACE2、SARS-CoV-2 S-蛋白:ACE2 和 SARS-CoV-2 S-RBD:ACE2。本综述将有助于研究人员有效识别和应对 SARS-CoV-2,并开发针对 COVID-19 的重新利用 ACE2 抑制剂。