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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted 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

P50416

UPID:

CPT1A_HUMAN

Alternative names:

Carnitine O-palmitoyltransferase I, liver isoform; Carnitine palmitoyltransferase 1A

Alternative UPACC:

P50416; Q8TCU0; Q9BWK0

Background:

Carnitine O-palmitoyltransferase 1, liver isoform, also known as Carnitine palmitoyltransferase 1A, plays a pivotal role in the metabolism of long-chain fatty acids. It facilitates the transfer of acyl groups of long-chain fatty acid-CoA conjugates onto carnitine, enabling their transport into mitochondria for beta-oxidation. This process is crucial for energy production, especially in the liver.

Therapeutic significance:

Carnitine palmitoyltransferase 1A deficiency, a rare autosomal recessive metabolic disorder, is directly linked to mutations in this protein. Characterized by severe hypoketotic hypoglycemia triggered by fasting or illness, its early onset demands urgent attention. Understanding the protein's function could lead to innovative treatments for this and related metabolic disorders.