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). (8th January 2018)

• Record Type: Journal Article
• Authors: Tung, Truong‐Thanh; Dao, Trong T.; Junyent, Marta G.; Palmgren, Michael; Günther‐Pomorski, Thomas; Fuglsang, Anja T.; Christensen, Søren B.; Nielsen, John
• Is Part Of: ChemMedChem. Volume 13:Number 1(2018)
• Page Start: 2
• Page End: 2
• Publication Date: 2018-01-08
• Subjects: antifungal compounds -- benzo[d]thiazoles -- drug design -- fungal plasma membrane H+-ATPase (Pma1p); Pharmaceutical chemistry -- Periodicals; 615.19005
• DOI: 10.1002/cmdc.201700808
• Languages: English
• ISSNs: 1860-7179

Abstract

Abstract : 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. onpage 37 in Issue 1, 2018 (DOI:10.1002/cmdc.201700635 ).