A Comprehensive Computational Study of the Interaction between Human Serum Albumin and Fullerenes

2015 ◽  
Vol 119 (48) ◽  
pp. 14971-14985 ◽  
Author(s):  
Georgios Leonis ◽  
Aggelos Avramopoulos ◽  
Konstantinos D. Papavasileiou ◽  
Heribert Reis ◽  
Thomas Steinbrecher ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Computational Study

scholarly journals Indomethacin Increases Quercetin Affinity for Human Serum Albumin: A Combined Experimental and Computational Study and Its Broader Implications

2020 ◽  
Vol 21 (16) ◽  
pp. 5740
Author(s):  
Hrvoje Rimac ◽  
Tana Tandarić ◽  
Robert Vianello ◽  
Mirza Bojić
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Binding Site ◽  
Binding Sites ◽  
Quantum Chemical ◽  
Computational Study ◽  
The Body ◽  
Active Concentration ◽  
Insight Into

Human serum albumin (HSA) is the most abundant carrier protein in the human body. Competition for the same binding site between different ligands can lead to an increased active concentration or a faster elimination of one or both ligands. Indomethacin and quercetin both bind to the binding site located in the IIA subdomain. To determine the nature of the HSA-indomethacin-quercetin interactions, spectrofluorometric, docking, molecular dynamics studies, and quantum chemical calculations were performed. The results show that the indomethacin and quercetin binding sites do not overlap. Moreover, the presence of quercetin does not influence the binding constant and position of indomethacin in the pocket. However, binding of quercetin is much more favorable in the presence of indomethacin, with its position and interactions with HSA significantly changed. These results provide a new insight into drug-drug interactions, which can be important in situations when displacement from HSA or other proteins is undesirable or even desirable. This principle could also be used to deliberately prolong or shorten the xenobiotics’ half-life in the body, depending on the desired outcomes.

Polymyxins interaction to the human serum albumin: A thermodynamic and computational study

2019 ◽  
Vol 217 ◽  
pp. 155-163 ◽  
Author(s):  
A. Poursoleiman ◽  
M.H. Karimi-Jafari ◽  
Z. Zolmajd-Haghighi ◽  
M. Bagheri ◽  
T. Haertlé ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Computational Study

Near-Infrared [Ir(N∧C)2(N∧N)]+ Emitters and Their Noncovalent Adducts with Human Serum Albumin: Synthesis and Photophysical and Computational Study

2019 ◽  
Vol 38 (19) ◽  
pp. 3740-3751 ◽  
Author(s):  
Ilya S. Kritchenkov ◽  
Pavel S. Chelushkin ◽  
Viktor V. Sokolov ◽  
Vladimir V. Pavlovskiy ◽  
Vitaly V. Porsev ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Near Infrared ◽  
Computational Study ◽  
Albumin Synthesis

scholarly journals Titanocene anticancer complexes and their binding mode of action to human serum albumin: A computational study

Metallomics ◽  
2011 ◽  
Vol 3 (2) ◽  
pp. 152 ◽  
Author(s):  
Susan W. Sarsam ◽  
David R. Nutt ◽  
Katja Strohfeldt ◽  
Kimberly A. Watson
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Mode Of Action ◽  
Computational Study ◽  
Binding Mode ◽  
Anticancer Complexes

Interaction of stattic, a STAT3 inhibitor with human serum albumin: spectroscopic and computational study

2016 ◽  
Vol 35 (16) ◽  
pp. 3581-3590 ◽  
Author(s):  
Ida Syazwani M. Affandi ◽  
Wei Qi Lee ◽  
Shevin R. Feroz ◽  
Saharuddin B. Mohamad ◽  
Saad Tayyab
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Computational Study
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