Synthesis, characterization and in silico study of 4-(4,5-diphenyl-1H-imidazol-2-yl) phenyl 4-chlorobenzoate as lactate dehydrogenase inhibitor

An imidazole derivative 4-(4,5-diphenyl-1H-imidazol-2-yl) phenyl 4-chlorobenzoate was synthesized by a one-pot condensation reaction of novel aldehyde with benzil and ammonium acetate in glacial acetic acid. The product was characterized using FTIR, 1H and 13C NMR. The imidazole derivative was screened in silico against human lactate dehydrogenase (LDHA) to explore the binding modes of the interaction. The docking results revealed that the imidazole derivative showed a remarkable binding affinity at the active site of the receptor with binding energy at -9.7 kcal/mol which indicates high affinity at the active site of the receptor.