Title

Molecular docking analysis of hyperphosphorylated tau protein with compounds derived from Bacopa monnieri and Withania somnifera

Authors

Hrushikesh Dixit¹, Selvaa Kumar C^1,*, Debjani Dasgupta^1,* & Nikhil Gadewal^*,2

Affiliation

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 Authors

Email

Debjani Dasgupta: drdebjanid@dypatil.edu; Selvaa Kumar C: selvaakumar.c@dypatil.edu; Nikhil Gadewal ngadewal@actrec.gov.in

Article Type

Research Article

Date

Received August 16, 2021; Revised September 20, 2021; Accepted September 20, 2021, Published September 30, 2021

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

Citation

Dixit et al. Bioinformation 17(9): 798-804 (2021)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.