7QFE

Crystal structure of Human Serum albumin in complex with Gemfibrozil

7QFE の概要

• エントリーDOI: 10.2210/pdb7qfe/pdb
• 分子名称: Serum albumin, MYRISTIC ACID, 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid, ... (8 entities in total)
• 機能のキーワード: human serum albumin, transport protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 68677.04

構造登録者

Liberi, S.,Moro, G.,Angelini, A.,Cendron, L. (登録日: 2021-12-05, 公開日: 2022-03-02, 最終更新日: 2024-11-06)

主引用文献

Liberi, S.,Linciano, S.,Moro, G.,De Toni, L.,Cendron, L.,Angelini, A.
Structural Analysis of Human Serum Albumin in Complex with the Fibrate Drug Gemfibrozil.
Int J Mol Sci, 23:-, 2022

PubMed Abstract: Gemfibrozil (GEM) is an orally administered lipid-regulating fibrate derivative drug sold under the brand name Lopid, among others. Since its approval in the early 80s, GEM has been largely applied to treat hypertriglyceridemia and other disorders of lipid metabolism. Though generally well tolerated, GEM can alter the distribution and the free, active concentration of some co-administered drugs, leading to adverse effects. Most of them appear to be related to the ability of GEM to bind with high affinity human serum albumin (HSA), the major drug-carrier protein in blood plasma. Here, we report the crystal structure of HSA in complex with GEM. Two binding sites have been identified, namely Sudlow's binding sites I (FA7) and II (FA3-FA4). A comparison of the crystal structure of HSA in complex with GEM with those of other previously described HSA-drug complexes enabled us to appreciate the analogies and differences in their respective binding modes. The elucidation of the molecular interaction between GEM and HSA might offer the basis for the development of novel GEM derivatives that can be safely and synergistically co-administered with other drugs, enabling augmented therapeutic efficacies.

PubMed: 35163693
DOI: 10.3390/ijms23031769

実験手法

X-RAY DIFFRACTION (2.2 Å)