Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin
Document Type
Article
Publication Date
2-1-2021
Abstract
Interaction of one of the green tea active ingredients, l-theanine with the major transport protein of human blood circulation, human serum albumin (HSA) was investigated using molecular docking analysis. Site-specific docking simulation suggested binding preference of l-theanine to Site 1 of HSA. The binding site is proposed to be a cleft surrounded by both polar and nonpolar residues. l-Theanine binds to the protein through hydrophobic interactions as well as hydrogen bonds formed between Lys residues (195 and 199) of HSA and l-theanine.
Keywords
l-Theanine, Human serum albumin, Molecular docking, Cluster analysis
Divisions
Science
Funders
Universiti Malaya [FG025-17AFR]
Publication Title
National Academy Science Letters-India
Volume
44
Issue
1
Publisher
Springer India
Publisher Location
7TH FLOOR, VIJAYA BUILDING, 17, BARAKHAMBA ROAD, NEW DELHI, 110 001, INDIA