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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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
Receptor.AI
 
UPACC
Q8TAQ2

UPID:
SMRC2_HUMAN

ALTERNATIVE NAMES:
BRG1-associated factor 170; SWI/SNF complex 170 kDa subunit; SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily C member 2

ALTERNATIVE UPACC:
Q8TAQ2; F8VTJ5; Q59GV3; Q92923; Q96E12; Q96GY4

BACKGROUND:
The SWI/SNF complex subunit SMARCC2, known for its roles in DNA-histone contact alteration and chromatin structure modification, is integral to gene expression regulation. As part of both npBAF and nBAF complexes, it supports the critical switch in neural development from stem cells to neurons. This protein's involvement in chromatin remodeling underscores its significance in cellular differentiation and development.

THERAPEUTIC SIGNIFICANCE:
The association of SWI/SNF complex subunit SMARCC2 with Coffin-Siris syndrome 8, a disorder marked by significant developmental challenges, underscores the therapeutic potential of this protein. Exploring its function further could lead to innovative treatments for this and related genetic conditions, emphasizing the importance of targeted research in unlocking new avenues for therapy.

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