Focused On-demand Library for Hepatocyte growth factor receptor

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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P08581

UPID:

MET_HUMAN

Alternative names:

HGF/SF receptor; Proto-oncogene c-Met; Scatter factor receptor; Tyrosine-protein kinase Met

Alternative UPACC:

P08581; A1L467; B5A932; E7EQ94; O60366; Q12875; Q9UDX7; Q9UPL8

Background:

The Hepatocyte growth factor receptor, known by its aliases such as HGF/SF receptor, Proto-oncogene c-Met, Scatter factor receptor, and Tyrosine-protein kinase Met, plays a pivotal role in various physiological processes. It transduces signals from the extracellular matrix to the cytoplasm by binding to its ligand, HGF, influencing cell proliferation, survival, and morphogenesis. Its activation triggers multiple signaling cascades crucial for embryonic development, organ regeneration, and tissue remodeling.

Therapeutic significance:

Given its involvement in diseases like Hepatocellular carcinoma, Renal cell carcinoma papillary, and Osteofibrous dysplasia, targeting the Hepatocyte growth factor receptor presents a promising avenue for therapeutic intervention. Its role in these conditions underscores the potential for developing targeted therapies that could inhibit its activity, offering hope for patients suffering from these malignancies.