Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P32456
UPID:
GBP2_HUMAN
Alternative names:
GTP-binding protein 2; Guanine nucleotide-binding protein 2; Interferon-induced guanylate-binding protein 2
Alternative UPACC:
P32456; Q6GPH0; Q6IAU2; Q86TB0
Background:
Guanylate-binding protein 2 (GBP2), also known as GTP-binding protein 2, plays a pivotal role in innate immunity. It targets a wide array of pathogens including bacteria, viruses, and protozoans by hydrolyzing GTP to GDP, facilitating the lysis of pathogen-containing vacuoles. This action releases pathogens into the cytosol, aiding in the assembly of inflammasomes, crucial for pathogen elimination. GBP2 also inhibits the infectivity of several viruses, including HIV-1 and influenza A, by blocking the maturation of viral envelope proteins.
Therapeutic significance:
Understanding the role of Guanylate-binding protein 2 could open doors to potential therapeutic strategies.