Focused On-demand Library for Transcription intermediary factor 1-alpha

Details

Focused On-demand Libraries - Receptor.AI 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 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 screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
O15164

UPID:
TIF1A_HUMAN

ALTERNATIVE NAMES:
E3 ubiquitin-protein ligase TRIM24; RING finger protein 82; RING-type E3 ubiquitin transferase TIF1-alpha; Tripartite motif-containing protein 24

ALTERNATIVE UPACC:
O15164; A4D1R7; A4D1R8; O95854

BACKGROUND:
The protein TRIM24, known for its roles as E3 ubiquitin-protein ligase and transcriptional coactivator, interacts with a variety of nuclear receptors to influence gene expression. It is involved in critical cellular processes including DNA damage response, cell proliferation, and apoptosis through its interaction with TP53 and modulation of histone modifications. TRIM24's activity in innate immunity and cell cycle regulation underscores its importance in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of TRIM24 offers a promising pathway to novel therapeutic interventions. Given its involvement in key cellular mechanisms such as the regulation of TP53 levels, cell proliferation, and innate immunity, targeting TRIM24 could lead to breakthroughs in cancer treatment and the development of immune therapies.

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