Molecular docking analysis of hyperphosphorylated
tau protein with compounds derived from Bacopa
monnieri and Withania somnifera
Hrushikesh Dixit1, Selvaa Kumar C1*, Debjani Dasgupta1* & Nikhil Gadewal*2
1School of Biotechnology and Bioinformatics, D.Y.Patil Deemed to be University, CBD Belpaur, Navi Mumbai, Maharashtra, India; 2Advanced Centre for Treatment, Research and Education in Cancer (ACTREC), Kharghar, Navi Mumbai, India; *Corresponding
Debjani Dasgupta: firstname.lastname@example.org
Selvaa Kumar C: email@example.com
Nikhil Gadewal firstname.lastname@example.org
Received August 16, 2021; Revised September 20, 2021; Accepted September 20, 2021, Published September 30, 2021
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Tau protein, the major player in Alzheimer’s disease forms neurofibrillary tangles in elderly people. Bramhi (Baccopa Monniera) is often used as an ayurvedic treatment for Alzheimer’s disease. Therefore it is of interest to study the interaction of compounds derived from Baccopa with the Tau protein involved in tangle formation. We show that compounds such as bacopaside II, bacopaside XII, and nicotine showed optimal binding features with the R2 repeat domain of hyperphosphorylated tau protein for further consideration in the context of Alzheimer’s disease (AD).
Keywords: Alzheimer’s disease, Bacopa monnieri, tau protein, bacoside