Focused On-demand Library for SH3 and PX domain-containing protein 2B

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

A1X283

UPID:

SPD2B_HUMAN

Alternative names:

Adapter protein HOFI; Factor for adipocyte differentiation 49; Tyrosine kinase substrate with four SH3 domains

Alternative UPACC:

A1X283; B6F0V2; Q9P2Q1

Background:

SH3 and PX domain-containing protein 2B, also known as Adapter protein HOFI, Factor for adipocyte differentiation 49, and Tyrosine kinase substrate with four SH3 domains, plays a pivotal role in cellular processes. It is involved in invadopodia and podosome formation, extracellular matrix degradation, and acts as an organizer for reactive oxygen species generation and localization. Its function is crucial in mitotic clonal expansion during the early stages of adipocyte differentiation.

Therapeutic significance:

The protein's association with Frank-Ter Haar syndrome, characterized by skeletal and facial abnormalities, underscores its clinical relevance. Understanding the role of SH3 and PX domain-containing protein 2B could open doors to potential therapeutic strategies for managing this syndrome and related disorders.