AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Proto-oncogene tyrosine-protein kinase receptor Ret

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

P07949

UPID:

RET_HUMAN

Alternative names:

Cadherin family member 12; Proto-oncogene c-Ret

Alternative UPACC:

P07949; A8K6Z2; Q15250; Q9BTB0; Q9H4A2

Background:

The Proto-oncogene tyrosine-protein kinase receptor Ret, also known as Cadherin family member 12, plays a pivotal role in cell proliferation, neuronal navigation, cell migration, and differentiation. It is crucial for organogenesis, including the development of the enteric nervous system and kidneys, and modulates cell adhesion and migration in an integrin-dependent manner.

Therapeutic significance:

Ret's involvement in diseases such as Colorectal cancer, Hirschsprung disease 1, Medullary thyroid carcinoma, Multiple neoplasia 2B, Pheochromocytoma, and Multiple neoplasia 2A highlights its potential as a therapeutic target. Understanding Ret's role could lead to novel treatments for these conditions.

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