2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors

被引：44

作者：

Di Micco, Simone ^{[1
]}

Spatafora, Carmela ^{[2
]}

Cardullo, Nunzio ^{[2
]}

Riccio, Raffaele ^{[1
]}

Fischer, Katrin ^{[3
]}

Pergola, Carlo ^{[3
]}

Koeberle, Andreas ^{[3
]}

Werz, Oliver ^{[3
]}

Chalal, Malik ^{[4
]}

Vervandier-Fasseur, Dominique ^{[4
]}

Tringali, Corrado ^{[2
]}

Bifulco, Giuseppe ^{[1
]}

机构：

[1] Univ Salerno, Dipartimento Farm, Via Giovanni Paolo II,132, I-84084 Fisciano, SA, Italy

[2] Univ Catania, Dipartimento Sci Chim, Viale A Doria 6, I-95125 Catania, Italy

[3] Univ Jena, Inst Pharm, Dept Pharmaceut Med Chem, D-07743 Jena, Germany

[4] Univ Bourgogne, ICMUB, UMR 6302, F-21000 Dijon, France

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2016年 / 24卷 / 04期

关键词：

2,3-Dihydrobenzofuran privileged structure; Molecular docking; mPGES-1; inhibitors; Cancer; Inflammation; PROSTAGLANDIN E-2 SYNTHASE-1; COMBINATORIAL LIBRARIES; FURAQUINOCIN-B; DISCOVERY; DRUG; ANTIBIOTICS; DERIVATIVES; POTENT; 5-LIPOXYGENASE; IDENTIFICATION;

D O I：

10.1016/j.bmc.2016.01.002

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

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页码：820 / 826

页数：7

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