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  4. 4-Aminoquinolone Piperidine Amides: Noncovalent Inhibitors of DprE1 with Long Residence Time and Potent Antimycobacterial Activity
 
research article

4-Aminoquinolone Piperidine Amides: Noncovalent Inhibitors of DprE1 with Long Residence Time and Potent Antimycobacterial Activity

Naik, Maruti
•
Humnabadkar, Vaishali
•
Tantry, Subramanyam J.
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2014
Journal Of Medicinal Chemistry

4-Aminoquinolone piperidine amides (AQs) were identified as a novel scaffold starting from a whole cell screen, with potent cidality on Mycobacterium tuberculosis (Mtb). Evaluation of the minimum inhibitory concentrations, followed by whole genome sequencing of mutants raised against AQs, identified decaprenylphosphoryl-beta-D-ribose 2'-epimerase (DprE1) as the primary target responsible for the antitubercular activity. Mass spectrometry and enzyme kinetic studies indicated that AQs are noncovalent, reversible inhibitors of DprE1 with slow on rates and long residence times of similar to 100 min on the enzyme. In general, AQs have excellent leadlike properties and good in vitro secondary pharmacology profile. Although the scaffold started off as a single active compound with moderate potency from the whole cell screen, structure-activity relationship optimization of the scaffold led to compounds with potent DprE1 inhibition (IC50 < 10 nM) along with potent cellular activity (MIC = 60 nM) against Mtb.

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Type
research article
DOI
10.1021/jm5005978
Web of Science ID

WOS:000338184100034

Author(s)
Naik, Maruti
Humnabadkar, Vaishali
Tantry, Subramanyam J.
Panda, Manoranjan
Narayan, Ashwini
Guptha, Supreeth
Panduga, Vijender
Manjrekar, Praveena
Jena, Lalit Kumar
Koushik, Krishna
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Date Issued

2014

Publisher

Amer Chemical Soc

Published in
Journal Of Medicinal Chemistry
Volume

57

Issue

12

Start page

5419

End page

5434

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
UPKIN  
Available on Infoscience
August 29, 2014
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/106406
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