AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Probable global transcription activator SNF2L1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

upacc

P28370

UPID:

SMCA1_HUMAN

Alternative names:

ATP-dependent helicase SMARCA1; Nucleosome-remodeling factor subunit SNF2L; SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 1

Alternative UPACC:

P28370; Q5JV41; Q5JV42

Background:

Probable global transcription activator SNF2L1, also known as ATP-dependent helicase SMARCA1, plays a pivotal role in chromatin remodeling. It is part of the ISWI chromatin-remodeling complexes, facilitating DNA access during replication, transcription, and repair by forming ordered nucleosome arrays. Its ATPase activity varies with the substrate, being higher with nucleosomes. SNF2L1 regulates nucleosome spacing and positioning, crucial for genomic stability and function.

Therapeutic significance:

Understanding the role of Probable global transcription activator SNF2L1 could open doors to potential therapeutic strategies. Its involvement in chromatin remodeling and gene expression regulation highlights its potential as a target in diseases where these processes are disrupted.

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