Cover Feature: LEGO‐Inspired Drug Design: Unveiling a Class of Benzo[d]thiazoles Containing a 3,4‐Dihydroxyphenyl Moiety as Plasma Membrane H+‐ATPase Inhibitors (ChemMedChem 1/2018),ChemMedChem

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Cover Feature: LEGO‐Inspired Drug Design: Unveiling a Class of Benzo[d]thiazoles Containing a 3,4‐Dihydroxyphenyl Moiety as Plasma Membrane H+‐ATPase Inhibitors (ChemMedChem 1/2018)
ChemMedChem ( IF 3.6 ) Pub Date : 2018-01-08 , DOI: 10.1002/cmdc.201700808
Truong-Thanh Tung ₁ , Trong T. Dao _{1,

2} , Marta G. Junyent ₂ , Michael Palmgren ₂ , Thomas Günther-Pomorski ₂ , Anja T. Fuglsang ₂ , Søren B. Christensen ₁ , John Nielsen ₁

Affiliation

The Cover Feature shows a rational procedure for assembling privileged molecular fragments (like playing with LEGO bricks) to obtain hit structures. We have invented a novel procedure for targeting biological macromolecules possessing a binding site with a poorly known topography. We have coined this protocol HFSA (Hypothesis‐based Fragment Selection and Assembly). The feasibility of the method has been demonstrated by construction of inhibitors of fungal plasma membrane H⁺‐ATPase (Pma1p). More information can be found in the Full Paper by Søren B. Christensen, John Nielsen et al. on page 37 in Issue 1, 2018 (DOI: 10.1002/cmdc.201700635).

中文翻译：

封面人物：受乐高启发的药物设计：推出一类含有3,4-二羟基苯基部分的苯并[d]噻唑作为血浆膜H + -ATPase抑制剂（ChemMedChem 1/2018）

封面功能显示了一种合理的程序，用于组装特权分子片段（例如，与乐高积木一起玩）以获得命中结构。我们已经发明了一种新颖的方法，该方法靶向具有未知位置的具有结合位点的生物大分子。我们创造了该协议HFSA（基于假设的片段选择和组装）。真菌质膜H ⁺ -ATPase（Pma1p）抑制剂的构建证明了该方法的可行性。可以在SørenB. Christensen，John Nielsen等人的论文全文中找到更多信息。关于第37页中第1期，2018（：10.1002 / cmdc.201700635 DOI）。

更新日期：2018-01-08

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