Abstract:
Corona Virus Disease 2019 (COVID-19) is a global pandemic epidemic caused by severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2), which poses a serious threat to human health worldwide and results in significant economic losses. With the continuous emergence of new virus strains, small molecule drugs remain the most effective treatment for COVID-19. The traditional drug development process usually requires several years; however, the development of computer-aided drug design (CADD) offers the opportunity to develop innovative drugs quickly and efficiently. The literature review describes the general process of CADD, the viral proteins that play essential roles in the life cycle of SARS-CoV-2 and can serve as therapeutic targets, and examples of drug screening of viral target proteins by applying CADD methods. Finally, the potential of CADD in COVID-19 therapy, the deficiency, and the possible future development direction are discussed.
摘要:
2019年冠状病毒病(COVID-19)是由严重急性呼吸道综合症冠状病毒2型(SARS-CoV-2)引起的全球大流行,这对全世界的人类健康构成了严重威胁,并造成了巨大的经济损失。随着新病毒株的不断涌现,小分子药物仍然是COVID-19最有效的治疗方法。传统的药物开发过程通常需要几年的时间;然而,计算机辅助药物设计(CADD)的发展为快速有效地开发创新药物提供了机会。文献综述描述了CADD的一般过程,在SARS-CoV-2的生命周期中发挥重要作用并可以作为治疗靶标的病毒蛋白,以及应用CADD方法对病毒靶蛋白进行药物筛选的实例。最后,CADD在COVID-19治疗中的潜力,的不足,并探讨了未来可能的发展方向。