Focused On-demand Library for Transcription activator BRG1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We utilise our cutting-edge, exclusive workflow to develop 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P51532

UPID:
SMCA4_HUMAN

ALTERNATIVE NAMES:
ATP-dependent helicase SMARCA4; BRG1-associated factor 190A; Mitotic growth and transcription activator; Protein BRG-1; Protein brahma homolog 1; SNF2-beta; SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 4

ALTERNATIVE UPACC:
P51532; B1A8Z4; B1A8Z5; B1A8Z6; B1A8Z7; E9PBR8; O95052; Q9HBD3

BACKGROUND:
The protein Transcription activator BRG1, known for its roles in chromatin remodeling and gene expression regulation, is essential for neural development and differentiation. As part of the SWI/SNF complex, it facilitates the transition of neural progenitors into mature neurons by altering chromatin structure, thus playing a critical role in brain development and function.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in diseases such as Rhabdoid tumor predisposition syndrome 2 and Coffin-Siris syndrome 4, Transcription activator BRG1 presents a promising target for drug discovery. Exploring its function and mechanisms offers a pathway to novel therapeutic interventions for these genetic disorders, underscoring the importance of continued research in this area.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.