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BioAssay: AID 638651

Uncompetitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogenic substrate

The production of beta-lactamases is an effective strategy by which pathogenic bacteria can develop resistance against beta-lactam antibiotics. While inhibitors of serine-beta-lactamases are widely used in combination therapy with beta-lactam antibiotics, there are no clinically available inhibitors of metallo-beta-lactamases (MBLs), and so there is a need for the development of such inhibitors. more ..
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 Tested Compounds
 Tested Compounds
All(9)
 
 
Active(7)
 
 
Unspecified(2)
 
 
 Tested Substances
 Tested Substances
All(9)
 
 
Active(7)
 
 
Unspecified(2)
 
 
AID: 638651
Data Source: ChEMBL (796099)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2012-09-09
Modify Date: 2014-05-25

Data Table ( Complete ):           Active    All
Target
Sequence: Metallo-beta-lactamase IMP-1 (Beta-lactamase IMP-1) (Metallo-beta-lactamase) (IMP-1 metallo-beta-lactmase) (Beta-lactamase) (Extended-spectrum B-lactamase) (Bla-imp protein)
Description ..   
Comment ..   

     More BioActivity Data..
BioActive Compounds: 7
Description:
Title: 3-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-beta-lactamase inhibitors.

Abstract: The production of beta-lactamases is an effective strategy by which pathogenic bacteria can develop resistance against beta-lactam antibiotics. While inhibitors of serine-beta-lactamases are widely used in combination therapy with beta-lactam antibiotics, there are no clinically available inhibitors of metallo-beta-lactamases (MBLs), and so there is a need for the development of such inhibitors. This work describes the optimisation of a lead inhibitor previously identified by fragment screening of a compound library. We also report that thiosemicarbazide intermediates in the syntheses of these compounds are also moderately potent inhibitors of the IMP-1 MBL from Pseudomonas aeruginosa. The interactions of these inhibitors with the active site of IMP-1 were examined using in silico methods.
(PMID: 22115595)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Categorized Comment
Assay Type: Binding

Assay Data Source: Scientific Literature

BAO: Assay Format: biochemical format

Target Type: Target is a single protein chain

Result Definitions
Show more
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1Kiuc activity commentKiuc activity commentString
2Kiuc standard flagKiuc standard flagInteger
3Kiuc qualifierKiuc qualifierString
4Kiuc published valueKiuc published valueFloatmM
5Kiuc standard valueKiuc standard valueFloatmM
6Kiuc activity commentKiuc activity commentString
7Kiuc standard flagKiuc standard flagInteger
8Kiuc qualifierKiuc qualifierString
9Kiuc published valueKiuc published valueFloatμM
10Kiuc standard valueKiuc standard valueFloatμM

Data Table (Concise)
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