Molecular docking study of binding of green tea catechins to human serum albumin (CROSBI ID 637105)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Matić, Sara ; Stepanić, Višnja
engleski
Molecular docking study of binding of green tea catechins to human serum albumin
Catechins are the most abundant polyphenols in green tea. Their biological activities beneficial to human health [1] depend on their metabolism and free plasma concentration. In plasma, polyphenols bind to serum albumin, responsible for their transport and storage [2]. In our work, molecular docking has been performed in order to determine the binding specificity and affinity of catechins EGCG, EGC and EC, as well as their metabolites, for binding to site 1 of HSA. Higher affinity has been determined for larger ligands, with more polar or negatively charged groups, such as EGCG and sulfated or glucuronidated metabolites of catechins. The study shows comparable docking results to those of some drugs known to be good ligands of HSA, also indicating their potential competition. [1] Chow, H. H. S. ; Hakim, I. A. Pharmacol. Res. 2011, 64, 105 [2] Zinellu, A. ; Sotgia, S. ; Scanu, B. ; Forteschi, M. ; Giordo, R. ; Cossu, A. ; Posadino, A. M. ; Carru, C. ; Pintus, G. PLoS One 2015, 10, e0134690
catechin ; polyphenol ; serum albumin ; molecular docking
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Podaci o prilogu
53-53.
2016.
objavljeno
Podaci o matičnoj publikaciji
6th Visegrad Symposium on Structural Systems Biology Book Of Abstracts
Długosz, M ; Setny P ; Sułkowska, J ; Trzaskowski, B
Varšava:
Podaci o skupu
6th Visegrad Symposium on Structural Systems
poster
19.06.2016-21.06.2016
Varšava, Poljska