Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
P37173

UPID:
TGFR2_HUMAN

ALTERNATIVE NAMES:
TGF-beta type II receptor; Transforming growth factor-beta receptor type II

ALTERNATIVE UPACC:
P37173; B4DTV5; Q15580; Q6DKT6; Q99474

BACKGROUND:
TGF-beta receptor type-2, known alternatively as TGF-beta type II receptor, is integral to the TGF-beta signaling pathway. It binds TGF-beta cytokines TGFB1, TGFB2, and TGFB3, initiating a cascade that regulates various physiological and pathological processes, including immunosuppression and extracellular matrix production. The receptor's unique ability to phosphorylate and activate TGFBR1, leading to the modulation of TGF-beta-regulated genes, is critical for its function.

THERAPEUTIC SIGNIFICANCE:
Given TGFBR2's critical role in conditions such as Hereditary non-polyposis colorectal cancer 6 and Esophageal cancer, its study offers promising avenues for therapeutic intervention. Understanding the role of TGF-beta receptor type-2 could open doors to potential therapeutic strategies, especially in targeting cancer and genetic disorders.

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