Focused On-demand Library for Proto-oncogene tyrosine-protein kinase Src

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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

P12931

UPID:

SRC_HUMAN

Alternative names:

Proto-oncogene c-Src; pp60c-src

Alternative UPACC:

P12931; E1P5V4; Q76P87; Q86VB9; Q9H5A8

Background:

Proto-oncogene tyrosine-protein kinase Src, also known as pp60c-src, plays a pivotal role in cellular processes including gene transcription, immune response, cell adhesion, and cell cycle progression. It is activated by various receptors, leading to the phosphorylation of substrates such as AFAP1 and cortactin, which are crucial for cytoskeletal organization and cell signaling.

Therapeutic significance:

Thrombocytopenia 6, a disorder characterized by a decrease in platelet count, implicates variants affecting the Src gene. Understanding the role of Proto-oncogene tyrosine-protein kinase Src could open doors to potential therapeutic strategies for this condition and related bone abnormalities.