Broad-spectrum dengue virus NS2B/NS3 protease inhibitors
This solution involves the development of broad-spectrum protease inhibitors targeting the NS2B/NS3 protease of dengue virus serotypes. The aim is to achieve high specificity and affinity, minimizing off-target effects on human proteases.
Overview
This research initiative focuses on developing broad-spectrum antiviral protease inhibitors targeting the NS2B/NS3 protease across all four serotypes of the dengue virus. These inhibitors are designed to offer high binding affinity and specificity, reducing the chance of off-target interactions with human proteases. The NS2B/NS3 protease's conservation across dengue serotypes makes it a promising target for drug development, addressing the significant gap in effective dengue treatments.
Technical specifications
Key Features:
- Target: NS2B/NS3 protease of dengue virus, conserved across serotypes.
- Methodology: Utilizes computational approaches like molecular docking, molecular dynamics simulations, and MM/GBSA to predict inhibitor performance.
- Validation: Experimental techniques such as biolayer interferometry (BLI) to validate real-time binding kinetics and specificity.
- Tools: Schrödinger's Glide for docking, Desmond for dynamics simulations, and custom synthesis of proteases by Genentech.
Technology readiness level
The technology is at TRL 3, indicating that it is in the experimental proof-of-concept stage. Computational and experimental methods are being used to validate the inhibitors' affinity and specificity, setting the foundation for further development and testing.
About Texas A&M University, College Station
Texas A&M University in College Station is a comprehensive public research university and the flagship of The Texas A&M University System, combining broad academic strengths with a strong applied‑research culture. Industry collaborates on the Texas A&M‑RELLIS campus—an integrated education, research and testing environment that supports large‑scale experimentation and proving grounds—and through the Texas A&M Transportation Institute’s facilities in Bryan‑College Station. A statewide extension network connects university expertise to companies and communities across all Texas counties, enabling rapid piloting and deployment. Research is supported by competitive federal funding from agencies such as NSF, NIH, DOE, USDA and DoD, alongside state and industry sponsorship. Texas A&M Innovation provides IP management, licensing and commercialization pathways across the system.
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