AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Guanylate-binding protein 5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.

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