Pharmacophore identification,synthesis, and biological evaluation of carboxylated chalcone derivatives as CysLT1 antagonists |
| |
| Authors: | Xiaowu Dong Li Wang Xueqin Huang Tao Liu Erqing Wei Lilin Du Bo Yang Yongzhou Hu |
| |
| Institution: | 1. ZJU-ENS Joint Laboratory of Medicinal Chemistry, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China;2. Department of Pharmacology, School of Medicine, Zhejiang University, Hangzhou 310058, China;3. Institute of Pharmacology & Toxicology, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China |
| |
| Abstract: | The pharmacophore model (Hypo1) with a well prediction capacity for CysLT1 antagonists was developed using Catalyst/HypoGen program. Virtual screening against an in-house database consisted of carboxylated chalcones using Hypo1 was performed. Retrieved hits 26a, 26b, 27a, and 27b were synthesized and biological evaluated, the results of which demonstrated that these compounds showed moderate to good CysLT1 antagonistic activities. This study indicated that the generated model (Hypo1) is a reliable and useful tool in lead optimization for novel CysLT1 antagonists. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
