2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors
| Affiliation auteurs | !!!! Error affiliation !!!! |
| Titre | 2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors |
| Type de publication | Journal Article |
| Year of Publication | 2016 |
| Auteurs | Di Micco S, Spatafora C, Cardullo N, Riccio R, Fischer K, Pergola C, Koeberle A, Werz O, Chalal M, Vervandier-Fasseur D, Tringali C, Bifulco G |
| Journal | BIOORGANIC & MEDICINAL CHEMISTRY |
| Volume | 24 |
| Pagination | 820-826 |
| Date Published | FEB 15 |
| Type of Article | Article |
| ISSN | 0968-0896 |
| Mots-clés | 2, 3-Dihydrobenzofuran privileged structure, Cancer, inflammation, Molecular docking, mPGES-1 inhibitors |
| Résumé | 2,3-Dihydrobenzofurans are proposed as privileged structures and used as chemical platform to design small compound libraries. By combining molecular docking calculations and experimental verification of biochemical interference, we selected some potential inhibitors of microsomal prostaglandin E-2 synthase (mPGES)-1. Starting from low affinity natural product 1, by our combined approach we identified the compounds 19 and 20 with biological activity in the low micromolar range. Our data suggest that the 2,3-dihydrobenzofuran derivatives might be suitable bioinspired lead compounds for development of new generation mPGES-1 inhibitors with increased affinity. (c) 2016 Elsevier Ltd. All rights reserved. |
| DOI | 10.1016/j.bmc.2016.01.002 |