Computer-aided identification and synthesis of novel broad-spectrum antiviral agents

新型广谱抗病毒药物的计算机辅助鉴定和合成

• 批准号: 2404261
• 金额: --
• 依托单位: Swansea University
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2404261
• 关键词: Computer; aided; identification; synthesis; novel

A combination of computer-aided drug design techniques and synthetic organic chemistry methods will be used to identify and synthesise novel broad-spectrum antiviral treatments, in the form of small-molecule compounds, for different viral infections, caused by coronaviruses, New World arenaviruses (NWA), and by enteroviruses. Coronaviruses are responsible for deadly human diseases such as SARS, MERS and COVID-19. The second viral group is instead associated with deadly haemorrhagic fever diseases in humans, while the third is responsible for numerous, severe conditions, especially in young children.In all cases, suitable targets for the development of broad-spectrum therapies have been identified. These targets will be studied with a series of in silico analyses, which will guide the design and synthesis of novel compounds, able to interfere with the essential functions of these proteins, and therefore to impair the virus life cycle.

计算机辅助药物设计技术和合成有机化学方法的结合将被用来识别和合成新的广谱抗病毒药物，以小分子化合物的形式，针对由冠状病毒、新世界新冠病毒(NWA)和肠道病毒引起的不同病毒感染。冠状病毒是导致SARS、MERS和新冠肺炎等致命人类疾病的罪魁祸首。相反，第二组病毒与人类致命的出血热疾病有关，而第三组病毒导致许多严重的疾病，特别是在年幼的儿童中。在所有情况下，都确定了开发广谱治疗的合适目标。这些靶点将通过一系列电子分析进行研究，这些分析将指导新化合物的设计和合成，这些化合物能够干扰这些蛋白质的基本功能，从而损害病毒的生命周期。