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Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin

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. T...

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Main Authors: Roslan, Amira Adlin, Mohamad, Saharuddin B., Tayyab, Saad
Format: Article
Published: Springer India 2021
Subjects:
Q Science (General)
Online Access:http://eprints.um.edu.my/26949/
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spelling my.um.eprints.269492022-04-11T06:41:34Z http://eprints.um.edu.my/26949/ Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin Roslan, Amira Adlin Mohamad, Saharuddin B. Tayyab, Saad Q Science (General) 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. Springer India 2021-02 Article PeerReviewed Roslan, Amira Adlin and Mohamad, Saharuddin B. and Tayyab, Saad (2021) Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin. National Academy Science Letters-India, 44 (1). pp. 17-19. ISSN 0250-541X, DOI https://doi.org/10.1007/s40009-020-00949-5 <https://doi.org/10.1007/s40009-020-00949-5>. 10.1007/s40009-020-00949-5
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic Q Science (General)
spellingShingle Q Science (General)
Roslan, Amira Adlin
Mohamad, Saharuddin B.
Tayyab, Saad
Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin
description 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.
format Article
author Roslan, Amira Adlin
Mohamad, Saharuddin B.
Tayyab, Saad
author_facet Roslan, Amira Adlin
Mohamad, Saharuddin B.
Tayyab, Saad
author_sort Roslan, Amira Adlin
title Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin
title_short Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin
title_full Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin
title_fullStr Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin
title_full_unstemmed Docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin
title_sort docking evaluation of the interaction between green tea active ingredient, l-theanine and human serum albumin
publisher Springer India
publishDate 2021
url http://eprints.um.edu.my/26949/
_version_ 1735409479728496640
score 13.209306

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