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Quorum:natural product discovery via mass spectrometry and molecular networking

Award Information
Agency: Department of Health and Human Services
Branch: National Institutes of Health
Contract: 1R43GM125485-01A1
Agency Tracking Number: R43GM125485
Amount: $193,466.00
Phase: Phase I
Program: SBIR
Solicitation Topic Code: 400
Solicitation Number: PA14-154
Solicitation Year: 2014
Award Year: 2018
Award Start Date (Proposal Award Date): 2018-02-01
Award End Date (Contract End Date): 2019-07-31
Small Business Information
4519 49TH ST
San Diego, CA 92115-3238
United States
DUNS: 031092123
HUBZone Owned: No
Woman Owned: No
Socially and Economically Disadvantaged: No
Principal Investigator
 (619) 752-4821
Business Contact
Phone: (619) 752-4821
Research Institution

Project Summary
Advances in genome miningand consequent realization of untapped microbial diversity has lead to
renewed interest in natural productNPdiscoveryNPs are a rich source of therapeutic candidateswith a long history of successes in combating infectious diseasesand oncologyThe emergence of
antibiotic resistant bacteria like Cdifficile and carbapenem resistant enterobacteiaceaeCREonly
emphasizes the desperateand growing need for new therapeuticsInvestigation of microenvironments
for novel NP compounds is labor intensiveand requires numerous molecular biologyand biochemical
techniques to isolate and characterize novel NP compoundsIn additionmonths of effort to isolate and
identify a compound can be wasted if the compound was previously discoveredHigh throughput
methods are needed to quickly identify drug leads from a samplewith minimal upfront investmentTandem mass spectrometryMSis a high throughput technology capable of sensitively
identifying moleculesUnlike nuclear magnetic resonance spectroscopywhich is a widely used in NP
research for structure elucidation and dereplicationtandem MS can be used to analyze small amounts
of compounds directly from the environmental extractWhile MS offers the hope of rapid NP
identificationof spectra cannot be matched to existing spectral librariesQuorum is a computational platform that organizes tandem MS data into molecular networksMolecular networks connect related compounds that differ by a mutationmodificationor adductQuorum aims to increase NP compound annotations compared to previous approaches by integrating
spectral library search and structure database searchIn additionannotations of known compounds can
be automatically propagated to relatedbut unknown compounds via similarity of their tandem mass
spectraQuorum will be deployed as a web application to enable interactive visual interrogation of the
network topology and underlying data analysisGiven the design of a MS experimente gcase versus
control or time seriesthe application will perform statistical analysis to highlight significantly
enriched compounds and sub networksThese features can be used to quickly identify novel drug leads
or to optimize growth and extraction protocols While natural products and their derivatives compriseof FDA recently approved drugsnew
discoveries by pharmaceutical companies has waned due to the difficulty in isolating novel compounds
and lack of high throughput methods for characterizationQuorum is a software tool that analyzes
mass spectrometry data to characterize compounds from microbe rich extractsas well as track
compound behavior across samples or conditionsThe innovative molecular networking approach
employed by Quorum will dramatically increase the rate for identifying compounds and accelerate
discovery of new therapeutics

* Information listed above is at the time of submission. *

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