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BioAssay: AID 602480

qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase): Aqueous Solubility in PBS

PPTases are responsible for the activation of a variety of pathogen-associated virulence factors. Among these compounds are toxins such as mycolactone from Mycobacterium ulcerans, siderophores such as vibriobactin from Vibrio cholerae or mycobactin from Mycobacterium tuberculosis, as well as the mycolic acids which form the waxy cell wall of Mycobacteria. The biosyntheses of these natural more ..
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 Tested Compounds
 Tested Compounds
All(1)
 
 
Active(1)
 
 
 Tested Substances
 Tested Substances
All(1)
 
 
Active(1)
 
 
 Related BioAssays
 Related BioAssays
AID: 602480
Data Source: NCGC (PPTA908)
Depositor Category: NIH Molecular Libraries Probe Production Network
Deposit Date: 2012-03-22
Hold-until Date: 2013-03-21
Modify Date: 2013-03-21

Data Table ( Complete ):           Active    All
BioActive Compound: 1
Depositor Specified Assays
AIDNameTypeComment
1819Probe Development Summary of Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)summarySummary AID
Description:
PPTases are responsible for the activation of a variety of pathogen-associated virulence factors. Among these compounds are toxins such as mycolactone from Mycobacterium ulcerans, siderophores such as vibriobactin from Vibrio cholerae or mycobactin from Mycobacterium tuberculosis, as well as the mycolic acids which form the waxy cell wall of Mycobacteria. The biosyntheses of these natural products are considered attractive targets for drug design. After a large qHTS and several follow-up assays, a small molecule was identified and this in vitro ADME assay serves to better characterize its properties.

This profiling assay looks at the stability of a small molecule in PBS (pH 7.4). This is an important parameter as it has significant impact on in vivo results, such as uptake, distribution, transport, and eventually bioavailability. This outcome is also of utmost importance for decisions concerning assay data and SAR strategy.


NIH Chemical Genomics Center [NCGC]
NIH Molecular Libraries Probe Centers Network [MLPCN]

MLPCN Grant: MH083226
Assay Submitter (PI): Michale Burkart, University of California, San Diego
Protocol
1. 8ul of reference and test compound stock solution were added to 392ul 100mM phosphate buffer (pH 7.4)

2. Sample tubes were shaken for 1 hr (1000 rpm) at room temperature

3. Samples were centrifuged (10 min at 12000 rpm) to precipitate un-dissolved particles

4. Supernatants were transferred to new tubes

5. Concentration of the supernatant was determined by LC-UV or LC-MS/MS
Comment
Compounds are "active" if solubility is or is greater than 20; "inconclusive" if solubility is between 10 and 20; "inactive" if solubility is or is less than 10.

PUBCHEM_ACTIVITY_SCORE is the solubility rounded to the closet whole number.
Result Definitions
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
ScoreThe BioAssay activity ranking scoreInteger
1PBS SolubilityFloatμM
2Compound QC String
Additional Information
Grant Number: MH083226

Data Table (Concise)
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