基于计算机的设计、合成及对造血前列腺素 D 合酶的 PROTAC 评价。
In Silico Design, Synthesis, and Evaluation of PROTAC Against Hematopoietic Prostaglandin D Synthase.
机构信息
Division of Organic Chemistry, National Institute of Health Sciences, Kawasaki-shi, Kanagawa, Japan.
Medical Chemistry, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, Sakyo-ku, Kyoto, Japan.
出版信息
Methods Mol Biol. 2024;2780:345-359. doi: 10.1007/978-1-0716-3985-6_18.
Chemical protein knockdown technology using proteolysis-targeting chimeras (PROTACs) to hijack the endogenous ubiquitin-proteasome system is a powerful strategy to degrade disease-related proteins. This chapter describes in silico design of a hematopoietic prostaglandin D synthase (H-PGDS) degrader, PROTAC(H-PGDS), using a docking simulation of the ternary complex of H-PGDS/PROTAC/E3 ligase as well as the synthesis of the designed PROTAC(H-PGDS)s and evaluation of their H-PGDS degradation activity.
利用蛋白水解靶向嵌合体（PROTAC）劫持内源性泛素-蛋白酶体系统的化学蛋白敲低技术是降解相关疾病蛋白的一种强大策略。本章描述了使用造血前列腺素 D 合酶（H-PGDS）/PROTAC/E3 连接酶三元复合物对接模拟对 H-PGDS 降解剂 PROTAC（H-PGDS）进行计算设计，以及设计的 PROTAC（H-PGDS）的合成和对其 H-PGDS 降解活性的评估。
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