世博娱乐

嘉宾简介

K. N. Houk received his Ph.D. at Harvard, working with R. B. Woodward on experimental tests of orbital symmetry selection rules. He has taught at Louisiana State University, the University of Pittsburgh, and UCLA since 1986.  From 1988-1990, he was Director of the Chemistry Division of the National Science Foundation.  He was the UCLA Saul Winstein Chair in Organic Chemistry from 2009-2021, and is now Distinguished Research Professor.  Beginning as an experimental organic chemist, he evolved over his career into a theoretical and computational organic chemist, involved in collaborations with groups all over the world.  He is an elected member of the US National and Chinese Academies of Science.  He has more than 1500 publications.

Kendall N. Houk 在哈佛大学获得了学士、硕士和博士学位，期间与 R. B. Woodward 共同研究轨道对称选择规则的实验测试。1968年，加入路易斯安那州立大学任教，1980年转至匹兹堡大学，1986年加入加州大学洛杉矶分校（UCLA）。1988年至1990年，担任美国国家科学基金会化学部主任。1991年至1994年，担任 UCLA 化学与生物化学系主任。2009年至2021年，担任 Saul Winstein 有机化学讲席教授，现为特聘讲席教授。Kendall N. Houk从一名实验有机化学家起步，在其职业生涯中逐渐发展成为一名理论计算有机化学家，并与世界各地研究小组合作。Kendall N. Houk为美国国家科学院和中国科学院院士，目前发表了 1500 多篇论文。

讲座摘要

In collaboration with the group of Yi Tang at UCLA, we have explored the use of Alfafold 2 and 3 protein folding predictions and QM and MD studies of mechanism and ligand binding to investigate how novel enzymes catalyze reactions.  The Houk and Tang groups have studied a variety of enzymes that catalyze pericyclic reactions.  These enzymes include well-studied enzymes such as chorismate mutase and a Diels-Alderase/[6+4]ase, SpnF.  The former involves salt bridges, hydrogen-bonding, and pre-organization, while the latter involves primarily hydrophobic effects and preorganization.  Two novel pericyclases discovered by the Tang group, BruB and Sdng, will be described here.  The former involves a cascade of pericyclic reactions, while the latter involves covalent iminium catalysis.  A new selective copper-dependent alkyl group chlorinase, ApnU, will also be discussed.

我们与加州大学洛杉矶分校（UCLA）的唐奕（Yi Tang）团队合作，利用AlphaFold 2和3的蛋白质折叠预测，以及量子力学（QM）和分子动力学（MD）研究，探讨新型酶的催化机制和配体结合作用。Houk和唐奕团队研究了一系列催化周环反应的酶，包括一些已经深入研究的酶，例如莽草酸变位酶和Diels-Alder酶/[6+4]酶SpnF。前者（莽草酸变位酶）的催化机制涉及盐桥、氢键和预组织化，而后者（SpnF）则主要依赖于疏水效应和预组织化。这里将描述唐奕团队发现的两种新型周环酶，BruB和Sdng。前者涉及一系列的周环反应，而后者涉及共价亚胺催化。此外，我们还将讨论一种新型选择性的铜依赖烷基氯化酶ApnU。