MOLECULAR DOCKING STUDIES OF SOME SULFONAMIDE DERIVATIVES AS PBP-2X INHIBITORS AS ANTIBACTERIAL AGENTS.

This paper deals with molecular docking studies of some synthesized sulfonamide derivatives with the penicillin-binding protein 2X (PBP-2X) protein. The simulation was done using a software package from Schrödinger (LLC, New York). The docking score is analyzed in comparison with the score of cefuroxime used as reference. The most promising derivatives present a score very close to that of cefuroxime. Hydrogen-bonding interactions of the studied sulfonamide compounds with the amino acids of the target protein have been analyzed. [ABSTRACT FROM AUTHOR]