Focused On-demand Library for SAM and SH3 domain-containing protein 3

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

O75995

UPID:

SASH3_HUMAN

Alternative names:

SH3 protein expressed in lymphocytes homolog

Alternative UPACC:

O75995; A6NCH1; A8K7K8; Q5JZ38

Background:

The SAM and SH3 domain-containing protein 3, also known as SH3 protein expressed in lymphocytes homolog, plays a pivotal role in immune response. Its primary function as a signaling adapter protein in lymphocytes underscores its importance in the regulation of immune cell activity. The protein's involvement in signaling pathways is crucial for the proper functioning of the immune system.

Therapeutic significance:

Immunodeficiency 102, a disease linked to mutations in the gene encoding this protein, highlights its critical role in immune regulation. Patients with this condition suffer from severe infections and autoimmune cytopenias, pointing to the protein's potential as a target for therapeutic intervention. Understanding the role of SAM and SH3 domain-containing protein 3 could open doors to potential therapeutic strategies.