AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 employ our advanced, specialised process to create targeted 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.

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

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.

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