A new cyclooxygenase (COX) inhibitory pterocarpan from Indigofera aspalathoides:: structure elucidation and determination of binding orientations in the active sites of the enzyme by molecular docking

被引：40

作者：

Selvam, C

Jachak, SM

Oli, RG

Thilagavathi, R

Chakraborti, AK

Bhutani, KK

机构：

[1] NIPER, Dept Nat Prod, SAS Nagar 160062, Punjab, India

[2] NIPER, Dept Med Chem, SAS Nagar 160062, Punjab, India

来源：

TETRAHEDRON LETTERS | 2004年 / 45卷 / 22期

关键词：

D O I：

10.1016/j.tetlet.2004.04.010

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A new compound indigocarpan (1) and the known compound mucronulatol (2) were isolated from chloroform extracts of Indigofera aspalathoides. Their structures were established by spectroscopic methods, including single-crystal X-ray analysis (in the case of 1). The isolates were evaluated for cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) inhibitory activities and antioxidant properties. The new compound 1 showed significant COX-1 inhibition (IC50 30.5 muM) and its in vivo anti-inflammatory activity was found to be comparable to that of ibuprofen. Molecular docking Studies revealed the binding orientations of 1 in the active sites of COX-1 and COX-2. (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：4311 / 4314

页数：4

共 28 条

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