- Turkish Journal of Chemistry
- Vol: 39 Issue: 1
- Synthesis and molecular modeling studies of naproxen-based acyl hydrazone derivatives
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 : 15 | Download : 3
Publication Date : 9999-12-31
Article Type : Makaleler
Abstract :A series of N-acylhydrazone derivatives (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