Focused On-demand Library for AT-rich interactive domain-containing protein 1A

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Reaxense

upacc

O14497

UPID:

ARI1A_HUMAN

Alternative names:

B120; BRG1-associated factor 250; BRG1-associated factor 250a; Osa homolog 1; SWI-like protein; SWI/SNF complex protein p270; SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1; hELD

Alternative UPACC:

O14497; D3DPL1; Q53FK9; Q5T0W1; Q5T0W2; Q5T0W3; Q8NFD6; Q96T89; Q9BY33; Q9HBJ5; Q9UPZ1

Background:

AT-rich interactive domain-containing protein 1A, also known as Osa homolog 1 or SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1, plays a pivotal role in transcriptional activation and repression through chromatin remodeling. It is a crucial component of SWI/SNF chromatin remodeling complexes, influencing DNA-nucleosome topology in an ATP-dependent manner. This protein is integral to the switch from proliferating neural stem/progenitor cells to postmitotic neurons during neural development.

Therapeutic significance:

Given its involvement in Coffin-Siris syndrome 2, characterized by intellectual disability and various malformations, understanding the role of AT-rich interactive domain-containing protein 1A could open doors to potential therapeutic strategies.