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 specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the 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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