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

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 pr...

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Autores principales: Dixit, Hrushikesh, Selvaa Kumar, C, Dasgupta, Debjani, Gadewal, Nikhil
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049085/
https://www.ncbi.nlm.nih.gov/pubmed/35539884
http://dx.doi.org/10.6026/97320630017798
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author Dixit, Hrushikesh
Selvaa Kumar, C
Dasgupta, Debjani
Gadewal, Nikhil
author_facet Dixit, Hrushikesh
Selvaa Kumar, C
Dasgupta, Debjani
Gadewal, Nikhil
author_sort Dixit, Hrushikesh
collection PubMed
description 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).
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spelling pubmed-90490852022-05-09 Molecular docking analysis of hyperphosphorylated tau protein with compounds derived from Bacopa monnieri and Withania somnifera Dixit, Hrushikesh Selvaa Kumar, C Dasgupta, Debjani Gadewal, Nikhil Bioinformation Research Article 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). Biomedical Informatics 2021-09-30 /pmc/articles/PMC9049085/ /pubmed/35539884 http://dx.doi.org/10.6026/97320630017798 Text en © 2021 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/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.
spellingShingle Research Article
Dixit, Hrushikesh
Selvaa Kumar, C
Dasgupta, Debjani
Gadewal, Nikhil
Molecular docking analysis of hyperphosphorylated tau protein with compounds derived from Bacopa monnieri and Withania somnifera
title Molecular docking analysis of hyperphosphorylated tau protein with compounds derived from Bacopa monnieri and Withania somnifera
title_full Molecular docking analysis of hyperphosphorylated tau protein with compounds derived from Bacopa monnieri and Withania somnifera
title_fullStr Molecular docking analysis of hyperphosphorylated tau protein with compounds derived from Bacopa monnieri and Withania somnifera
title_full_unstemmed Molecular docking analysis of hyperphosphorylated tau protein with compounds derived from Bacopa monnieri and Withania somnifera
title_short Molecular docking analysis of hyperphosphorylated tau protein with compounds derived from Bacopa monnieri and Withania somnifera
title_sort molecular docking analysis of hyperphosphorylated tau protein with compounds derived from bacopa monnieri and withania somnifera
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049085/
https://www.ncbi.nlm.nih.gov/pubmed/35539884
http://dx.doi.org/10.6026/97320630017798
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