Design, Synthesis and 3D-QSAR Study of N-Substituted-3-indolyl-acetamide Series as α1-Adrenoceptor Antagonists

Chinese Journal of Organic Chemistry ›› 2004, Vol. 24 ›› Issue (12): 1587-1594. Previous Articles Next Articles

N-取代-3-吲哚乙酰胺类α₁-肾上腺素受体拮抗剂的设计、合成及其3D-QSAR研究

吴斌^*,a, 李敏勇^b, 江振洲^c, 夏霖^b

^a南京医科大学药学院南京 210029
^b中国药科大学药物化学教研室南京 210009
^c中国药科大学新中新药研究开发中心南京 210038

收稿日期:2004-06-29 修回日期:2004-10-12 接受日期:2004-11-01 发布日期:2022-09-20
基金资助:
国家863基金(No. 2002AA2Z3131)资助项目

Design, Synthesis and 3D-QSAR Study of N-Substituted-3-indolyl-acetamide Series as α₁-Adrenoceptor Antagonists

WU Bin^*,a, LI Min-Yong^b, JIANG Zhen-Zhou^c, XIA Lin^b

^aSchool of Pharmacy, Nanjing Medical University, Nanjing 210029
^bDepartment of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009
^cXinzhong New Drug Research and Development Center, China PharmaceuticalUniversity, Nanjing 210038

Received:2004-06-29 Revised:2004-10-12 Accepted:2004-11-01 Published:2022-09-20
Contact: *E-mail: zhaoym@nic.bmi.ac.cn

Abstract

A series of N-substituted-3-indolylacetamide derivatives were designedand synthesized based on the structure and activity relationship (SAR) of α₁-adrenoceptor (α₁-AR) antagonists and the biophore established bycomputer-aideddrug design (CADD), and then their antagonism at α₁-adrenoceptor was evaluated.Preliminary bioassay suggested that most of the target compounds display good blocking activity to α₁-AR. The correlation between the molecular structural characteristics and the α₁-adrenoceptor biological activities was studied by using self-organizing molecular field analysis (SOMFA).

Key words: 3-indolylacetamide, α₁-adrenoceptor antagonist, benign prostatic hyperplasia, 3D-QSAR, self-organizing molecular field analysis

Cite this article

WU Bin, LI Min-Yong, JIANG Zhen-Zhou, XIA Lin. Design, Synthesis and 3D-QSAR Study of N-Substituted-3-indolyl-acetamide Series as α₁-Adrenoceptor Antagonists[J]. Chinese Journal of Organic Chemistry, 2004, 24(12): 1587-1594.

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N-取代-3-吲哚乙酰胺类α₁-肾上腺素受体拮抗剂的设计、合成及其3D-QSAR研究

Design, Synthesis and 3D-QSAR Study of N-Substituted-3-indolyl-acetamide Series as α₁-Adrenoceptor Antagonists

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N-取代-3-吲哚乙酰胺类α1-肾上腺素受体拮抗剂的设计、合成及其3D-QSAR研究