Characterization of the Interaction between BSA and Tetracycline Using Molecular Docking

The interaction of tetracycline (TC) with bovine serum albumin (BSA) was investigated using molecular docking. The results of molecular docking analysis indicated that TC-BSA complex is formed mainly on the basis of hydrogen bonding, and five amino acids (ARG۱۹۴, ARG۱۹۸, ARG۲۱۷, ALA۲۹۰, and GLU۲۹۱) show high affinity for TC. In addition to hydrogen-bond interactions, several carbon-hydrogen bonds between TC and other amino acids, as well as a hydrophobic interaction (pi-alkyl) interaction between TC and Ala۲۹۰ were observed. The minimized affinity value for the first pose of TC-BSA was -۷.۹۰ kcal mol¹.

کلیدواژه ها:

Molecular docking ، Serum albumin ، Tetracycline ، Hydrogen bonding