Molecular Docking Studies on Evolvulus  Alsinoides Compounds Against TAU Protein  in Alzheimer�s Disease

Darsi Vanaja; Kuna Yellamma

Volume : III, Issue : I, January - 2014

Molecular Docking Studies on Evolvulus Alsinoides Compounds Against TAU Protein in Alzheimer�s Disease

Darsi Vanaja, Kuna Yellamma

Abstract :

Tau proteins, involved in Alzheimer\'s disease are microtubule-associated proteins that are abundant in neurons of the central nervous system. In the present study, the active site of the tau protein was found by using docking programs and software such as Argus lab, AutodockVina, Pymol etc.The ligands against tau protein were taken from the medicinal plant, Evolvulus alsinoides for evaluation of its potential against Alzheimer�s disease. The exact confirmation and configuration of the ligand was calculated to find the best molecule with minimum binding energy in order to develop potential drug molecules against the disease. The results showed that among 11 ligands selected, five compounds viz. CID222284, CID5280863, CID439514, CID2497066 and Caffeoyl quinic acid exhibited highest binding affinity values like -8.5, -8.4,-7.9,-7.5 and -8.3 respectively. However, these lead molecules have to be evaluated further before they are suggested as the best potential lead molecules.