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2012•International Journal of Pharmaceutical Sciences and Drug ResearchOpen access

PHARMACOPHORE BASED SCREENING OF EPICATECHIN AGAINST COLON CANCER

S. Dhivya, Sureshkumar Chinaga, Bommuraj Vijayakumar, S. Narasimhan

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Abstract

The present study deals with Pharmacophore based analog generation of Epicatechin derivatives against the PKC-alpha receptor for treating colon cancer. The chemical features of Epicatechin were analyzed by catalyst - Hiphop algorithm and its derivatives were generated based on Epicatechin Pharmacophore using Minimaybridge commercial database. Two different Epicatechin Pharmacophore analogs were acquired by virtual screening and docked against the PKC-alpha for screening the protein binding affinity. The Pharmacophore result gives HTS01501 possess -3.514 Kcal /mol highest dock score as like as Epicatechin.

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What this paper is about

The present study deals with Pharmacophore based analog generation of Epicatechin derivatives against the PKC-alpha receptor for treating colon cancer. The chemical features of Epicatechin were analyzed by catalyst - Hiphop algorithm and its derivatives were generated based on Epicatechin Pharmacophore using Minimaybridge commercial database. Two different Epicatechin Pharmacophore analogs were acquired by virtual screening and docked against the PKC-alpha for screening the protein binding affinity. The Pharmacophore result gives HTS01501 possess -3.514 Kcal /mol highest dock score as like as Epicatechin.

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Available abstract

The present study deals with Pharmacophore based analog generation of Epicatechin derivatives against the PKC-alpha receptor for treating colon cancer. The chemical features of Epicatechin were analyzed by catalyst - Hiphop algorithm and its derivatives were generated based on Epicatechin Pharmacophore using Minimaybridge commercial database. Two different Epicatechin Pharmacophore analogs were acquired by virtual screening and docked against the PKC-alpha for screening the protein binding affinity. The Pharmacophore result gives HTS01501 possess -3.514 Kcal /mol highest dock score as like as Epicatechin.

Key concepts: Pharmacophore, Virtual screening, DOCK, Chemistry, Combinatorial chemistry, Stereochemistry, Computational biology, Biochemistry

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