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 extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 use our state-of-the-art dedicated workflow for designing 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 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

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.