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

Chhibber, Manmohan and Kumar, Gyanendra and Parasuraman, Prasanna and Ramya, TNC and Surolia, Namita and Surolia, Avadhesha (2006) Novel diphenyl ethers: Design, docking studies, synthesis and inhibition of enoyl ACP reductase of Plasmodium falciparum and Escherichia coli. In: Bioorganic & Medicinal Chemistry, 14 (23). pp. 8086-8098.

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Abstract

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.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 13 Dec 2006
Last Modified: 19 Sep 2010 04:33
URI: http://eprints.iisc.ernet.in/id/eprint/9088

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