The molecular basis of cytochrome P450 ligand binding: Towards predicting enzyme substrate selectivity and drug-drug interaction potential

细胞色素 P450 配体结合的分子基础：预测酶底物选择性和药物相互作用潜力

• 批准号: nhmrc : GNT1120137
• 负责人: Prof John Miners
• 金额: $ 55.84万
• 依托单位: Flinders University
• 依托单位国家: 澳大利亚
• 项目类别: Project Grants
• 财政年份: 2017
• 资助国家: 澳大利亚
• 起止时间: 2017-01-01 至 无数据
• 项目状态: 已结题
• 来源: https://researchdata.edu.au/molecular-basis-cytochrome-interaction-potential/1347104
• 关键词: molecular; basis; cytochrome; P450; ligand

Cytochrome P450 (CYP) enzymes play a pivotal role in the metabolism (i.e. chemical breakdown) of drugs, a process that is essential for their detoxification and elimination from the body. This project will combine advanced computational and experimental approaches to elucidate the molecular basis for the binding of drugs to CYP enzymes, which is crucial for the design of drugs with favourable metabolic properties and decreased propensity for harmful interactions with co-administered drugs.

细胞色素P450（CYP450）酶在药物代谢（即化学分解）中起着关键作用，这是一个对药物解毒和从体内消除至关重要的过程。该项目将结合联合收割机先进的计算和实验方法，以阐明药物结合到酶的分子基础，这是至关重要的药物设计具有有利的代谢特性和减少与共同管理的药物的有害相互作用的倾向。