Molecular docking analysis on the interaction between bovine serum albumin and three commercial fluoroquinolones: Ciprofloxacin, enrofloxacin and pefloxacin

Fluoroquinolones are a family of broad spectrum, systemic antibacterial agents that have been used as therapy for infections in the respiratory and alimentary tract animals. The pharmacodynamic this class is widely described, predominantly to commercial drugs ciprofloxacin (CIP), enrofloxacin (ENR), pefloxacin (PEF). Bovine serum albumin (BSA) main endogenous carrier bovine bloodstream, being responsible biodistribution different classes molecules drugs, including fluoroquinolones. molecular features interaction between BSA fluoroquinolones not fully thus, present work enlightens intimacy with CIP, ENR, PEF through structural modeling docking calculation approaches. role key amino acid residues was assessed, indicating protein binding pocket composed by Trp-212 residue playing an important stabilization three both hydrogen bonding van der Waals forces, where reside individual differences observed among BSA. There descriptive protagonism carboxyl group on ENR which traps molecule avoids deep communication pocket, well ligands CIP showed interface profile higher than 70%.