Focused On-demand Library for Guanylate-binding protein 5

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q96PP8

UPID:

GBP5_HUMAN

Alternative names:

GBP-TA antigen; GTP-binding protein 5; Guanine nucleotide-binding protein 5

Alternative UPACC:

Q96PP8; B2RCE1; Q86TM5

Background:

Guanylate-binding protein 5 (GBP5) is a pivotal player in the innate immune response, characterized by its unique ability to hydrolyze GTP without producing GMP. Unlike other family members, GBP5 is specifically recruited to pathogen-containing vacuoles or vacuole-escaped bacteria, enhancing the assembly of inflammasomes. It facilitates the lysis of these vacuoles, releasing pathogens into the cytosol and thereby promoting the recruitment of bacterial cytolysis mediators. This process liberates ligands detected by inflammasomes, crucial for activating the non-canonical CASP4/CASP11 and AIM2 inflammasomes, and selectively assembles the NLRP3 inflammasome in response to microbial agents.

Therapeutic significance:

Understanding the role of Guanylate-binding protein 5 could open doors to potential therapeutic strategies, particularly in enhancing innate immune responses and inflammasome assembly for combating bacterial, viral, and protozoan pathogens.