Molecular insight on the binding of halogenated organic phosphate esters to human serum albumin and its effect on cytotoxicity of halogenated organic phosphate esters - Zhang, Zihang; Dai, Lulu; Yang, Kaiyu; Luo, Jiaqing; Zhang, Yue; Ding, Pei; Tian, Jianwen; Tuo, Xun; Chi, Baozhu (International journal of biological macromolecules, 2024)
Keywords: Binding Sites; Computer simulation; Cytotoxicity; ecosystems; enzyme activity; Esterase activity; Esters - chemistry; estrogens; Halogenated OPEs; Halogenation; human health; Human serum albumin; Humans; hydrogen; Hydrogen Bonding; hydrophobicity; ligands; Molecular Docking Simulation; Molecular Dynamics Simulation; Organophosphates - chemistry; Organophosphates - metabolism; phosphates; Protein Binding; Serum Albumin, Human - chemistry; Serum Albumin, Human - metabolism; Thermodynamics; van der Waals forces; Human serum albumin; Cytotoxicity; Esterase activity; Computer simulation; Halogenated OPEs