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A Tool for Modeling the Structure-Activity of Chemokine Receptors and Other…

Award Information

Agency:
Department of Health and Human Services
Branch:
N/A
Award ID:
80024
Program Year/Program:
2007 / SBIR
Agency Tracking Number:
GM076779
Solicitation Year:
N/A
Solicitation Topic Code:
N/A
Solicitation Number:
N/A
Small Business Information
INTEGRAL MOLECULAR
3711 MARKET ST Suite 900 PHILADELPHIA, PA -
View profile »
Woman-Owned: No
Minority-Owned: No
HUBZone-Owned: No
 
Phase 2
Fiscal Year: 2007
Title: A Tool for Modeling the Structure-Activity of Chemokine Receptors and Other GPCRs
Agency: HHS
Contract: 2R44GM076779-02
Award Amount: $2,070,966.00
 

Abstract:

DESCRIPTION (provided by applicant): Understanding the precise molecular interactions between drugs and their targets, their structure-activity relationship (SAR), is a highly desirable goal during drug development. GPCRs are the single largest family of d rug targets in the pharmaceutical industry, yet structural information about them is exceptionally difficult to obtain. The product that will arise from this proposal, the Structure-Activity Relationship Array (SARray), will enable structural interactions of GPCRs with drug candidates and other ligands to be determined at molecular resolution. We have demonstrated the feasibility of constructing SARrays and of using them to obtain useful structural information. We identified the structural determinants of f ive different CCR5 molecular interactions, including critical amino acids responsible for interacting with a chemokine (RANTES), two monoclonal antibodies (2D7 and 45523), HIV-1 Env (JRFL), and a small- molecule drug (TAK-779). Our results were validated a gainst and agree with published results. The Specific Aims of our Phase 2 proposal are: I. Test the ability of SARray data to predict detailed receptor-ligand interactions II. Develop structure-activity analysis tools and data management software. III. Cre ate SARrays for validated GPCR drug targets The product that results from this proposal will contribute to human health by facilitating the optimization and design of drugs targeted to GPCRs. Understanding the precise molecular interactions between drugs a nd their targets, their structure-activity relationship (SAR), is a highly desirable goal during drug development. GPCRs are the single largest family of drug targets in the pharmaceutical industry, yet structural information about them is exceptionally di fficult to obtain.

Principal Investigator:

Benjamin J. Doranz
2159666018
BDORANZ@INTEGRALMOLECULAR.COM

Business Contact:

Benjamin Doranx
bdoranz@integralmolecular.com
Small Business Information at Submission:

INTEGRAL MOLECULAR
INTEGRAL MOLECULAR 3701 MARKET ST, STE 340 PHILADELPHIA, PA 19104

EIN/Tax ID: 233091965
DUNS: N/A
Number of Employees: N/A
Woman-Owned: No
Minority-Owned: No
HUBZone-Owned: No