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)

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 thi...

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Bibliographic Details
Published in:ChemMedChem 2018-01, Vol.13 (1), p.2-2
Main Authors: Tung, Truong‐Thanh, Dao, Trong T., Junyent, Marta G., Palmgren, Michael, Günther‐Pomorski, Thomas, Fuglsang, Anja T., Christensen, Søren B., Nielsen, John
Format: Article
Language:English
Subjects:
Adenosine triphosphatase
antifungal compounds
Assembling
benzo[d]thiazoles
Binding sites
drug design
Drug development
Feasibility studies
fungal plasma membrane H+-ATPase (Pma1p)
H+-transporting ATPase
Hydrogen
Inhibitors
Macromolecules
Thiazoles
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Summary: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).
ISSN:1860-7179
1860-7187
DOI:10.1002/cmdc.201700808