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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q92925
UPID:
SMRD2_HUMAN
Alternative names:
60 kDa BRG-1/Brm-associated factor subunit B; BRG1-associated factor 60B
Alternative UPACC:
Q92925; A5PLL5; A6NNQ7; B4DV56; B4E1R6; Q7L2I6; Q9UHZ1
Background:
SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily D member 2 (SWI/SNF) plays a pivotal role in chromatin remodeling, influencing transcriptional activation and repression of genes. It is a key component of the SWI/SNF chromatin remodeling complexes, altering DNA-histone contacts within a nucleosome in an ATP-dependent manner. This protein is crucial for myeloid differentiation and neutrophil granule formation.
Therapeutic significance:
Specific granule deficiency 2 (SGD2), a disorder characterized by recurrent infections and defective neutrophil development, is linked to mutations affecting SWI/SNF. Understanding the role of SWI/SNF could open doors to potential therapeutic strategies for SGD2 and related myeloid differentiation disorders.