Steroselectivity of Synthetically Valuable Enzyme Catalysts

有合成价值的酶催化剂的立体选择性

• 批准号: 9884779
• 负责人: KENDALL N HOUK
• 金额: $ 28.97万
• 依托单位: UNIVERSITY OF CALIFORNIA LOS ANGELES
• 依托单位国家: 美国
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-04-01 至 2022-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/9884779
• 关键词: Acids; Active Sites; Alcohols; Aldehydes; Amines; Amino Acid Sequence; Antibiotics; Beta Carbolines; Biochemical Reaction; Biology; Chemicals; Collaborations; Complex; Computational Technique; Computing Methodologies; Diels Alder reaction; Distal; Elements; Engineering; Enzymes; Filtration; Free Energy; Goals; Hot Spot; Industrialization; Intuition; Ketones; Kinetics; Laboratories; Location; Methods; Mutation; Oxides; Pathway interactions; Pharmacologic Substance; Physical condensation; Principal Component Analysis; Process; Production; Protein Engineering; Protocols documentation; Reaction; Reagent; Research; Resolution; Sampling; Sequence Alignment; Strictosidine synthase; System; Testing; Transaminases; analog; base; catalyst; combinatorial; comparative; cycloaddition; decalin; design; flexibility; improved; molecular dynamics; mutant; novel; programs; protein folding; pyridine

Project Abstract This research program develops and applies state-of-the-art computational methods to understand stereoselectivities of enzyme catalysts for reactions of high synthetic value. The control of stereoselectivity is an essential feature of efficient synthesis, and this program provides explanations of the origins of these selectivities and builds on these to predict new enzyme catalysts for stereoselective reactions. Collaborators test these predictions. These are critical elements in the synthesis of effective pharmaceutical agents.

项目摘要 该研究计划开发并应用最先进的计算方法 了解酶催化剂对高合成价值反应的立体选择性。 立体选择性的控制是高效合成的一个重要特征，这 计划提供了这些选择性的起源的解释，并在此基础上 预测立体选择性反应的新酶催化剂。合作者测试这些 预测。这些是合成有效药物的关键要素 代理。