DFT and molecular dynamics studies of astaxanthin-metal ions (Cu2+ and Zn2+) complex to prevent glycated human serum albumin from possible unfolding

DFT and molecular dynamics studies of astaxanthin-metal ions (Cu2+ and Zn2+) complex to prevent glycated human serum albumin from possible unfolding

Glycated human serum albumin (gHSA) undergoes conformational changes of proteins caused by free radicals. The glycation process results in a reduced ability of albumin as an endogenous scavenger in diabetes mellitus type 2 (T2DM) patients. Astaxanthin (ASX) has been shown to prevent gHSA from experi...

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Bibliographic Details
Main Authors: Syahputra Wibowo, Sri Widyarti, Akhmad Sabarudin, Djoko Wahono Soeatmadji, Sutiman Bambang Sumitro
Format: Article
Language:English
Published: Elsevier 2021-03-01
Series:Heliyon
Subjects:
Astaxanthin
Density functional theory
Gaussian 09W
Molecular dynamics simulation
Transition metal ions
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844021006514

Internet

http://www.sciencedirect.com/science/article/pii/S2405844021006514

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