Focused On-demand Library for SWI/SNF complex subunit SMARCC2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

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:

SWI/SNF complex subunit SMARCC2, also known as BRG1-associated factor 170, plays a pivotal role in chromatin remodeling. It is a component of the SWI/SNF chromatin remodeling complexes, influencing transcriptional activation and repression by altering DNA-nucleosome topology. This protein is crucial for the transition from proliferating neural stem cells to postmitotic neurons, highlighting its importance in neural development.

Therapeutic significance:

Given its involvement in Coffin-Siris syndrome 8, characterized by intellectual disability and dysmorphic features, understanding the role of SWI/SNF complex subunit SMARCC2 could open doors to potential therapeutic strategies. Its function in chromatin remodeling and gene expression regulation makes it a promising target for addressing the genetic underpinnings of this syndrome.