Novel diphenyl ethers: Design, docking studies, synthesis and inhibition of enoyl ACP reductase of Plasmodium falciparum and Escherichia coli
作者:Manmohan Chhibber、Gyanendra Kumar、Prasanna Parasuraman、T.N.C. Ramya、Namita Surolia、Avadhesha Surolia
DOI:10.1016/j.bmc.2006.07.034
日期:2006.12
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
我们设计了一些新颖的二苯醚,并使用Autodock确定了它们与恶性疟原虫的烯丙基酰基载体蛋白还原酶(ENR)的结合能。从中,我们合成了有前途的化合物,并测试了它们对恶性疟原虫以及大肠杆菌的ENR的抑制活性。这些化合物中的一些显示出对PfENR的纳摩尔抑制作用和对EcENR的低微摩尔抑制作用。它们还对恶性疟原虫和大肠杆菌的体外培养物表现出低的微摩尔效价。这些化合物的结构-活性关系的研究为进一步改进新型二苯醚的设计铺平了道路,该新型二苯醚对纯化的酶和病原体具有增强的活性。