Synthesis and molecular modeling studies of naproxen-based acyl hydrazone derivatives

Authors : Tuğba TAŞKIN TOK, Özgün ÖZAŞIK, Deniz SARIGÖL, Ayşe UZGÖREN BARAN

Pages : 54-83

Doi:10.3906/kim-1401-91

View : 23 | Download : 9

Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :A series of N-acylhydrazone derivatives insert ignore into journalissuearticles values(2a--2p); containing 6-methoxy-naphthalene and acylhydrazone moieties were synthesized in good yield using microwave irradiation and developed as potential COX-2 inhibitors. Furthermore, the interactions between COX-2 and the compounds were examined in detail by molecular modeling studies such as structure--activity relationship and molecular docking performed using Gaussian 09 and Discovery Studio 3.5. As a result, it was found that N-acylhydrazone compounds displayed a different mechanism than SC-558 as COX-2 inhibitor by binding to different active sites of the protein, COX-2. Compound 2c would be a good COX-2 inhibitor candidate for preclinical studies.
Keywords : Naproxen, microwave, acyl hydrazones, molecular docking