Evaluation of the binding behavior of olmutinib (HM61713) with model transport protein: Insights from spectroscopic and molecular docking studies

• Published in: Journal of molecular structure Vol. 1224; p. 129024
• Main Authors: Kou, Song-Bo, Lin, Zhen-Yi, Wang, Bao-Li, Shi, Jie-Hua, Liu, Ying-Xin
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.01.2021
• Subjects: Binding behavior; Bovine serum albumin; Molecular docking; Olmutinib; Spectroscopy; λex; Bovine serum albumin; Spectroscopy; 3D fluorescence; SFS; ANS; FT-IR; Tyr; λem; Molecular docking; EGFR; PDB; BSA; Olmutinib; Binding behavior; DFT; TKI; Trp; HSA; OMT; NCBI

•Binding behavior between olmutinib (OMT) with model transport protein, BSA was investigated.•Binding affinity between OMT with BSA is stronger with the Kb of about 105 M−1 order.•The driven forces include hydrophobic interactions, hydrogen bonds as well as van der Waals forces.•The common metal ion...