Inproceedings,

Qsar Studies on Gallic Acid Derivatives and Molecular Docking Studies of Bace1 Enzyme – A Potent Target of Alzheimer Disease.

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Bioscience & Engineering: An International Journal (BIOEJ), volume 1 of IFIP Advances in Information and Communication Technology, page 11 - 27. (July 2014)

Abstract

It is reported that Alzheimer disease is linked with hypertension, diabetes type 2 and high cholesterolemia. The underlying genetic cause relating these diseases are not well studied clinically. But it has been widely accepted that beta secretase (BACE1) is the main culprit of causing Alzheimer disease. This enzyme comes under peptidase A1 family. In the present work, ligand based and structure based drug designing have been reported. QSAR studies were done using 21 gallic acid derivatives dataset to develop good predictive model in order to predict biological activity and certain descriptors was reported to further enhance the analgesic activity of gallic acid derivatives. Molecular docking studies were performed in order to find structure based drug design. Two natural gallic acid derivative have been repoted as a potent inhibitor to beta secretase enzyme.

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