AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our partner 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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Reaxense

upacc

Q12824

UPID:

SNF5_HUMAN

Alternative names:

BRG1-associated factor 47; Integrase interactor 1 protein; SNF5 homolog

Alternative UPACC:

Q12824; O75784; O95474; Q17S11; Q38GA1; Q76N08; Q9UBH2

Background:

SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1, also known as BRG1-associated factor 47, plays a pivotal role in chromatin remodeling. This protein is a core component of the BAF complex, influencing cell proliferation, differentiation, and neural development by altering chromatin structure to facilitate gene expression.

Therapeutic significance:

Linked to Rhabdoid tumor predisposition syndrome 1, Schwannomatosis 1, and Coffin-Siris syndrome 3, understanding the role of SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 could open doors to potential therapeutic strategies for these complex diseases.

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