Synthesis and Molecular Docking Studies of New Indole Derivatives as Prospective Antibacterial Agents

Abstract

Titled compounds 3a-j were synthesized by the reaction of 4-benzyloxyindole-2-carboxylic acid (1) with different amines 2a-j in the presence of NMM and Hexafluorophosphate Azabenzotriazole Tetramethyl Uronium. The in vitro antibacterial activities of compounds (3a-j) against the strains of bacteria Pseudomonas aeruginosa and Staphylococcus aureus revealed that compounds 3a, 3b, 3c, 3h, 3i, and 3j have good potency, whereas compounds 3d and 3e have activity only against S. aureus. Molecular docking studies were carried out by choosing FabH protein from the PDB, which gave good binding free energy ranging from -10.507 to -6.40. The pharmacokinetic properties and toxicity of these compounds were predicted using pkCSM online tool.. KEYWORDS :Antibacterial activity, FabH transferase, Indole derivatives, Minimum inhibitory concentration, PkCSM.