Focused On-demand Library for Growth factor receptor-bound protein 2

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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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

P62993

UPID:

GRB2_HUMAN

Alternative names:

Adapter protein GRB2; Protein Ash; SH2/SH3 adapter GRB2

Alternative UPACC:

P62993; P29354; Q14450; Q63057; Q63059

Background:

Growth factor receptor-bound protein 2 (GRB2) is a pivotal adapter protein linking cell surface growth factor receptors to the Ras signaling pathway. Known by alternative names such as Adapter protein GRB2, Protein Ash, and SH2/SH3 adapter GRB2, it plays a crucial role in cellular communication and proliferation. GRB2 does not interact with phosphorylated epidermal growth factor receptor (EGFR) but inhibits EGF-induced activation of RAS-responsive elements, acting as a dominant negative over GRB2 to suppress proliferative signals.

Therapeutic significance:

Understanding the role of Growth factor receptor-bound protein 2 could open doors to potential therapeutic strategies.