AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Carnitine O-palmitoyltransferase 1, brain isoform

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 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8TCG5

UPID:

CPT1C_HUMAN

Alternative names:

CPT IC; Carnitine O-palmitoyltransferase I, brain isoform; Carnitine palmitoyltransferase 1C

Alternative UPACC:

Q8TCG5; A8K0Z8; Q5K6N5; Q8N6Q9; Q8NDS6; Q8TE84

Background:

Carnitine O-palmitoyltransferase 1, brain isoform (CPT IC), also known as Carnitine palmitoyltransferase 1C, plays a crucial role in the lipid metabolic process. This protein, encoded by the gene with the accession number Q8TCG5, is vital for the proper functioning of cellular energy metabolism, particularly in the brain.

Therapeutic significance:

Spastic paraplegia 73, an autosomal dominant neurodegenerative disorder, is linked to variants affecting the gene encoding CPT IC. This connection highlights the protein's potential as a target for therapeutic intervention, aiming to alleviate the progressive weakness and spasticity associated with the disease.

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