Novel diphenyl ethers:: Design, docking studies, synthesis and inhibition of enoyl ACP reductase of Plasmodium falciparum and Escherichia coli

被引：68

作者：

Chhibber, Manmohan

Kurnara, Gyanendra

Parasuraman, Prasanna

Ramya, T. N. C.

Surolia, Namita

Surolia, Avadhesha ^{[1
]}

机构：

[1] Jawaharlal Nehru Ctr Adv Sci Res, Bangalore 560012, Karnataka, India

[2] Indian Inst Sci, Mol Biophys Unit, Bangalore 560012, Karnataka, India

[3] Natl Inst Immunol, New Delhi 110067, India

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2006年 / 14卷 / 23期

关键词：

diphenyl ether; enoyl ACP reductase; Plasmodium jalcisparum; docking;

D O I：

10.1016/j.bmc.2006.07.034

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

We designed some novel diphenyl ethers and determined their binding energies for Enoyl-Acyl Carrier Protein Reductase (ENR) of Plasmodium falciparum using Autodock. Out of these, we synthesized the promising compounds and tested them for their inhibitory activity against ENRs of P. falciparum as well as Escherichia coli. Some of these compounds show nanomolar inhibition of PfENR and low micromolar inhibition of EcENR. They also exhibit low micromolar potency against in vitro cultures of P. falciparum and E. coli. The study of structure-activity relationship of these compounds paves the way for further improvements in the design of novel diphenyl ethers with improved activity against purified enzyme and the pathogens. (c) 2006 Elsevier Ltd. All rights reserved.

引用

页码：8086 / 8098

页数：13