Focused On-demand Library for Transcription initiation factor TFIID subunit 1

Details

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
P21675

UPID:
TAF1_HUMAN

ALTERNATIVE NAMES:
Cell cycle gene 1 protein; TBP-associated factor 250 kDa; Transcription initiation factor TFIID 250 kDa subunit

ALTERNATIVE UPACC:
P21675; A5CVC8; A5CVC9; A5CVD0; A5CVD1; B1Q2X3; Q59FZ3; Q6IUZ1; Q70Q86; Q70Q87; Q70T00; Q70T01; Q70T02; Q70T03

BACKGROUND:
The protein Transcription initiation factor TFIID subunit 1, known alternatively as Cell cycle gene 1 protein or TBP-associated factor 250 kDa, is integral to the transcription initiation process. It forms a crucial part of the TFIID complex, binding to promoter regions and initiating RNA polymerase II-dependent transcription. Its kinase activity allows for the phosphorylation of key proteins, playing a vital role in cell cycle regulation.

THERAPEUTIC SIGNIFICANCE:
Given its critical functions and association with diseases such as X-linked dystonia-parkinsonism and intellectual developmental disorder, TAF1 emerges as a key target for drug discovery. Exploring TAF1's mechanisms offers a promising avenue for developing novel therapeutic strategies.

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