Title: In-silico analysis and QSAR studies of tacrine hybrids with ubiquitin ligase on Alzheimer's disease

Authors: R. Sumi Pandian, K. Hemavathi, R. Jayapradha, R. Seenivasagam

Addresses: Department of Pharmacoinformatics, School of Chemical and Biotechnology, Sastra University, Tanjore 613 402, Tamil Nadu, India. ' Department of Bioinformatics, School of Chemical and Biotechnology, Sastra University, Tanjore 613 402, Tamil Nadu, India. ' Department of Bioinformatics, School of Chemical and Biotechnology, Sastra University, Tanjore 613 402, Tamil Nadu, India. ' Department of Pharmacoinformatics, School of Chemical and Biotechnology, Sastra University, Tanjore 613 402, Tamil Nadu, India

Abstract: Ubiquitin ligase was an important protease in the pathogenesis of Alzheimer|s Disease (AD). Currently, a handful of drugs were available and they are at best only able to offer some relief from symptoms. Cure for this disease is currently not available. Tacrine hybrids show inhibitory activities to the ubiquitin ligase. The three-dimensional quantitative structure–activity relationship (3D QSAR) models and in-silico studies would be useful in developing new drug leads against Alzheimer|s disease. The objective of this work involves the designing of new substances, with potential inhibitory activity over AcetylCholinesterase Enzyme (AChE), using rational drug design strategies.

Keywords: Alzheimer|s disease; bioinformatics; AchE; acetylcholinesterase enzyme; pharmacoinformatics; tacrine analogues; ubiquitin ligase; drug informatics; 3D QSAR; in-silico biology; drug design; QSAR models; bioinformatics; tacrine hybrids.

DOI: 10.1504/IJBRA.2010.038737

International Journal of Bioinformatics Research and Applications, 2010 Vol.6 No.6, pp.556 - 570

Published online: 24 Feb 2011 *

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