AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Bromodomain testis-specific protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q58F21

UPID:

BRDT_HUMAN

Alternative names:

Cancer/testis antigen 9; RING3-like protein

Alternative UPACC:

Q58F21; A6NF68; B7Z811; B7Z890; B7ZAX7; D3DT32; O14789; Q05DQ4; Q6P5T1; Q7Z4A6; Q8IWI6

Background:

Bromodomain testis-specific protein, also known as Cancer/testis antigen 9 and RING3-like protein, plays a pivotal role in spermatogenesis. It binds specifically to acetylated histones H4K5ac and H4K8ac, facilitating gene activation during meiosis and post-meiosis. This protein is essential for the removal of hyperacetylated histones in the post-meiotic phase and participates in mRNA splicing and 3'-UTR truncation in spermatocytes and spermatids.

Therapeutic significance:

Given its crucial role in spermatogenesis, Bromodomain testis-specific protein is directly linked to Spermatogenic failure 21, an infertility disorder. Understanding the role of this protein could open doors to potential therapeutic strategies for treating infertility related to spermatogenesis defects.

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