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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P51531
UPID:
SMCA2_HUMAN
Alternative names:
ATP-dependent helicase SMARCA2; BRG1-associated factor 190B; Protein brahma homolog; SNF2-alpha; SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 2
Alternative UPACC:
P51531; B1ALG3; B1ALG4; D3DRH4; D3DRH5
Background:
The Probable global transcription activator SNF2L2, also known as ATP-dependent helicase SMARCA2, plays a pivotal role in chromatin remodeling. 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 transcriptional activation and repression of select genes, impacting neural development and differentiation.
Therapeutic significance:
SNF2L2 is linked to diseases such as Nicolaides-Baraitser syndrome, Blepharophimosis-impaired intellectual development syndrome, and Schizophrenia. Understanding its role could lead to novel therapeutic strategies for these complex disorders, highlighting its importance in medical research.