Design, synthesis and biological evaluation of Pontin ATPase inhibitors through a molecular docking approach

被引：13

作者：

Elkaim, Judith ^{[1
]}

Lamblin, Marc ^{[1
]}

Laguerre, Michel ^{[1
]}

Rosenbaum, Jean ^{[2
]}

Lestienne, Patrick ^{[2
]}

Eloy, Laure ^{[3
]}

Cresteil, Thierry ^{[3
]}

Felpin, Francois-Xavier ^{[4
]}

Dessolin, Jean ^{[1
]}

机构：

[1] Univ Bordeaux, CNRS, CBMN, IECB,UMR 5248, F-33607 Pessac, France

[2] Univ Bordeaux, INSERM, U1053, F-33076 Bordeaux, France

[3] CNRS, Inst Chim Subst Nat, UPR 2301, F-91198 Gif Sur Yvette, France

[4] Univ Nantes, CNRS, UMR 6230, CEISAM,UFR Sci & Tech, F-44322 Nantes 3, France

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2014年 / 24卷 / 11期

关键词：

ATPase activity; Pontin; Molecular docking; Small-molecule inhibitor; Enzymatic assay; RUVB-LIKE PROTEIN; SCORING FUNCTION; DNA HELICASE; COMPLEX; TIP49; IDENTIFICATION; TRANSFORMATION; INDUCTION; REPTIN;

D O I：

10.1016/j.bmcl.2014.04.003

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A virtual screening strategy, through molecular docking, for the elaboration of an electronic library of Pontin inhibitors has resulted in the identification of two original scaffolds. The chemical synthesis of four candidates allowed extensive biological evaluations for their anticancer activity. Two compounds displayed an effect on Pontin ATPase activity, and one of them also exhibited a noticeable effect on cell growth. Further biological studies revealed that the most active compound induced apoptotic cell death together with necrosis, this latter effect being likely related to the cellular balance of ATP regulation. (C) 2014 Elsevier Ltd. All rights reserved.

引用

页码：2512 / 2516

页数：5

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