Synthesis Docking Studies and Antitubercular Activity of Ofloxacin Scaffold using Blanc Reaction

Abstract

Synthesis, molecular docking and characterization of ofloxacin derivatives and in vitro evaluation for their antitubercular action were carried out. Synthesis ofloxacin derivatives viz. O+TRI, O+MEL, O+NAP, O+SUL, O+METF, O+IBU, O+ASP, O+DNP, O+SSA, O+PH, O+MC (where TRI = trimethoprim, MEL = meloxicam, NAP = naproxen, SUL = sulfamethoxazole, METF = metformin, IBU = ibuprofen, ASP = aspirin, DNP = 2,4-dinitrophenyl hydrazine, SSA = 5-sulpho salicylic acid, PH = phenyl hydrazine, MC = 7-hydroxy-4-methyl coumarin) were carried using Blanc reaction and purified by using of ethanol by recrystallization. The reaction products consist of methylene group linkage between two moieties and the molecules were characterized by analytical methods TLC, solubility, melting point, spectroscopic methods (FT-IR, mass and ¹H NMR, ¹³C NMR). In silico methods were adopted for synthetic derivatives by Autodock vina software. Determined physico-chemical parameters (in silico studies) and docking studies have been performed using protein (5BS8) with designed ligands, binding energy scores were noted for different derivatives. Derivatives O+TRI, O+NAP shown good activity at 0.8 μg/mL. In docking studies, all the compounds shown promising results when compared to standard drugs.