论文标题
针对SARS-COV-2主要蛋白酶的小分子药物候选药物
A small molecule drug candidate targeting SARS-CoV-2 main protease
论文作者
论文摘要
一个被确定为SARS-COV-2病毒的新冠状病毒使世界陷入了危机状态，引起了大流行，声称超过433,000人的生命，并对全球经济施加了重大财务损害。尽管目前努力，开发安全有效的治疗仍然是一个重大挑战。此外，该病毒的新菌株将来可能会出现。为了防止未来的大流行，需要几种具有各种作用机理的药物。针对该病毒的药物发现工作分为两个主要类别：（a）针对病毒的尖峰蛋白并将其阻止进入的单克隆抗体； （b）针对病毒关键蛋白的小分子抑制剂，干扰病毒的复制和翻译。在这项研究中，我们正在介绍针对SARS-COV-2蛋白酶的潜在药物候选药物的计算研究，这是一种对病毒复制和翻译至关重要的病毒蛋白。
A new coronavirus identified as SARS-CoV-2 virus has brought the world to a state of crisis, causing a major pandemic, claiming more than 433,000 lives and instigating major financial damage to the global economy. Despite current efforts, developing safe and effective treatments remains a major challenge. Moreover, new strains of the virus are likely to emerge in the future. To prevent future pandemics, several drugs with various mechanisms of action are required. Drug discovery efforts against the virus fall into two main categories: (a) monoclonal antibodies targeting the spike protein of the virus and blocking it from entry; (b) small molecule inhibitors targeting key proteins of the virus, interfering with replication and translation of the virus. In this study, we are presenting a computational investigation of a potential drug candidate that targets SARS-CoV-2 protease, a viral protein critical for replication and translation of the virus.
