Focused On-demand Library for SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily D member 2

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.