Quantification and Improvement of the Dynamics of Human Serum Albumin and Glycated Human Serum Albumin with Astaxanthin/Astaxanthin-Metal Ion Complexes: Physico-Chemical and Computational Approaches

Abstract

Glycated human serum albumin (gHSA) undergoes conformational changes and unfolding events caused by free radicals. The glycation process results in a reduced ability of albumin to act as an endogenous scavenger and transporter protein in diabetes mellitus type 2 (T2DM) patients. Astaxanthin (ASX) in native form and complexed with metal ions (Cu2+ and Zn2+) has been shown to prevent gHSA from experiencing unfolding events. Furthermore, it improves protein stability of gHSA and human serum albumin (HSA) as it is shown through molecular dynamics studies. In this study, the ASX/ASX-metal ion complexes were reacted with both HSA/gHSA and analyzed with electronic paramagnetic resonance (EPR) spectroscopy, rheology and zeta sizer (particle size and zeta potential) analysis, circular dichroism (CD) spectroscopy and UV-Vis spectrophotometer measurements, as well as molecular electrostatic potential (MEP) and molecular docking calculations. The addition of metal ions to ASX improves its ability to act as an antioxidant and both ASX or ASX-metal ion complexes maintain HSA and gHSA stability while performing their functions.

Multiple System Atrophy : Mitochondria Dysregulation, Reprogramming and Alternative of Neuroprotective Agents

“…Future research needs to be carried out in preclinic and clinical trials to prove MSA management using some of the alternative neuroprotective agents above, both in single and complex forms, then for the initial stage an in-silico study can be carried out. The use of protein modeling, docking and molecular dynamic simulation can be maximized [174][175][176][177].…”

Computational Insight into Anti-Obesity Effects of Combined Some Phytobiotics to GLP1R (Glucagon-Like Peptide 1 Receptor) Protein inAnas javanica

“…The control ligands used were loureirin B (189670), and the phytobiotics used were gingerol (442793), tyramine (5610), rutin (5280805), 14-deoxy-11,12-didehydroandrographiside (44575271), andrographidine-e (13963769) (969516). Meanwhile, information for protein modeling was collected from Uniprot for proteins with the code B4ZY91 (Glucagon-Like Peptide 1 Receptor) is a protein from Gallus gallus, which contains a maximum of 459 amino acids (Wibowo et al 2022). The structure of the proteins and ligands can be seen in Table 1.…”

Dysfunctional energy and future perspective of low dose H2O2 as protective agent in neurodegenerative disease

“…6 A and 6 B). Docking analysis [ [103] , [104] , [105] , [106] ] means that if the hydrogen peroxide molecule is in the system, H 2 O 2 will more easily bind to the GABARAPL1 + SAMM50 protein complex first and then to α-synuclein. Then the impact of the binding of such molecules to the protein complex causes a change in the bond energy between the proteins α-synuclein and the GABARAPL1+SAMM50 complex.…”