AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sex-determining region Y 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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

Q05066

UPID:

SRY_HUMAN

Alternative names:

Testis-determining factor

Alternative UPACC:

Q05066

Background:

The Sex-determining region Y protein, also known as Testis-determining factor, is a pivotal transcriptional regulator in male development. It orchestrates the genetic switch necessary for male sex determination by guiding the development of supporting cell precursors as Sertoli cells. This protein binds to specific DNA sequences, promoting gene activation or repression, and is also involved in pre-mRNA splicing. Its role extends to the maintenance of motor functions in dopaminergic neurons in the male brain.

Therapeutic significance:

Given its crucial role in sex determination and association with conditions such as 46,XY sex reversal 1 and 46,XX sex reversal 1, the Sex-determining region Y protein presents a significant target for therapeutic intervention. Understanding the role of this protein could open doors to potential therapeutic strategies for sex reversal conditions.

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