Molecular docking analysis of phytochemicals from ethanolic extract of crescentia cujete with the auto inhibited parkin catalytic domain

P Anitha; Praveen K Kumar; P Shanmughavel; T H Nazeema; G Lalitha

doi:10.6026/97320630016189

Molecular docking analysis of phytochemicals from ethanolic extract of crescentia cujete with the auto inhibited parkin catalytic domain

Bioinformation. 2020 Feb 29;16(2):189-195. doi: 10.6026/97320630016189. eCollection 2020.

Authors

P Anitha¹, Praveen K Kumar², P Shanmughavel², T H Nazeema³, G Lalitha³

Affiliations

¹ Department of Biochemistry, Rathnavel Subramaniam College of Arts and Science, Coimbatore, Tamilnadu,India.
² Department of Bioinformatics, Bharathiar University, Coimbatore, Tamilnadu,India.
³ Michael Job College of Arts and Science for Women, Coimbatore,Tamilnadu, India.

Abstract

The autoinhibited Parkin catalytic domain (PDB ID: 4BM9) receptor has been described to have a role in the ubiquitination of α-syn in Parkinson's disease. Therefore, it is of interest to discuss the molecular docking analysis data of phytochemicals from ethanolic extract of Crescentia cujete with the auto inhibited Parkin catalytic domain. We report the docking features of the phytochemical named 1, 2-Ethanediamine, N-(2-aminoethyl) with the target protein for further consideration towards the design and development of anti-Parkinson agents.

Keywords: Crescentia cujete; Insilico docking; Parkinson disease; autoinhibited Parkin catalytic domain.