Synthesis and molecular modeling studies of some new derivatives of benzylidene-2-phenyl-1H-imidazol-5(4H)-one
Mayank Bapna and Lalit Singh Chauhan
Journal Title:International Journal of Ayurveda and Pharmaceutical Chemistry
Imidazole derivatives have been synthesized widely as cyclooxygenase inhibitors. In the following research synthesis of ten benzylidene-2-phenyl-1H-imidazol-5(4H)-one derivative (2.1-2.10) was carried out, as selective COX-2 inhibitors, using the principle of ErlenmeyerPloch synthesis. In a two step synthesis the compounds were synthesized in high yield using microwave as an alternate source of energy. The structures of synthesized imidazole derivatives were proved by means of their IR, 1H-NMR and mass spectral analysis. The compounds were then analyzed using in silico docking and toxicity studies, for various parameters like hydrophobicity, hydrogen bonding, sitemap interactions, oncogenicity, teratogenicity and immunotoxicity. Among the synthesized compounds, 2.1, 2.2, 2.3, 2.8 and 2.10 exhibited significant glide score as an analgesic using 5COX as receptor and compounds 2.4, 2.5 exhibited maximum predictable toxicity.