Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Receptor.AI
 
UPACC
Q8WZ04

UPID:
TOMT_HUMAN

ALTERNATIVE NAMES:
Catechol O-methyltransferase 2; Protein LRTOMT2

ALTERNATIVE UPACC:
Q8WZ04; B7Z816

BACKGROUND:
The Transmembrane O-methyltransferase, with alternative names Catechol O-methyltransferase 2 and Protein LRTOMT2, catalyzes the O-methylation of catecholamine neurotransmitters and hormones, crucial for deactivation. It is indispensable for hearing, contributing to the cochlear hair cell's mechanotransduction machinery, facilitating the assembly of the MET complex, and ensuring the proper transport of TMC1 and TMC2 proteins into the stereocilia.

THERAPEUTIC SIGNIFICANCE:
Linked to Deafness, autosomal recessive, 63, due to gene variants, the protein's understanding could pave the way for innovative treatments for sensorineural hearing loss.

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