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

Focused On-demand Libraries - Reaxense 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.

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

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

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:

Transcription initiation factor TFIID subunit 1, also known as TAF1, plays a pivotal role in the initiation of RNA polymerase II-dependent transcription. It is a core component of the TFIID complex, essential for recognizing and binding promoters, facilitating the assembly of the pre-initiation complex. TAF1's unique kinase domains enable it to phosphorylate various transcription factors, including TP53, influencing cell cycle progression.

Therapeutic significance:

TAF1's involvement in X-linked dystonia-parkinsonism and intellectual developmental disorder underscores its potential as a therapeutic target. Understanding TAF1's role could pave the way for innovative treatments for these neurological conditions.