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.


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


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 utilise our cutting-edge, exclusive workflow to develop 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
Q92523

UPID:
CPT1B_HUMAN

ALTERNATIVE NAMES:
Carnitine O-palmitoyltransferase I, muscle isoform; Carnitine palmitoyltransferase 1B; Carnitine palmitoyltransferase I-like protein

ALTERNATIVE UPACC:
Q92523; B7Z4U4; B7Z5T8; E9PCP2; Q13389; Q99655; Q9BY90

BACKGROUND:
The enzyme Carnitine O-palmitoyltransferase 1, muscle isoform, known alternatively as Carnitine palmitoyltransferase 1B, is integral to the metabolic process of fatty acid oxidation. It facilitates the entry of long-chain fatty acids into mitochondria, essential for energy production, particularly in muscle cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Carnitine O-palmitoyltransferase 1, muscle isoform presents a promising avenue for developing treatments aimed at metabolic diseases. Its vital role in energy metabolism positions it as a potential therapeutic target for enhancing physical endurance and treating metabolic syndromes.

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