Focused On-demand Library for Mitochondrial carnitine/acylcarnitine carrier protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

O43772

UPID:

MCAT_HUMAN

Alternative names:

Carnitine/acylcarnitine translocase; Solute carrier family 25 member 20

Alternative UPACC:

O43772; B2R7F4; Q9UIQ2

Background:

The Mitochondrial carnitine/acylcarnitine carrier protein, also known as Carnitine/acylcarnitine translocase and Solute carrier family 25 member 20, plays a crucial role in the mitochondrial oxidation pathway. It facilitates the exchange of acylcarnitines with free carnitine across the mitochondrial inner membrane, essential for fatty acid beta-oxidation.

Therapeutic significance:

Carnitine-acylcarnitine translocase deficiency, a rare but severe metabolic disorder, is directly linked to mutations in the gene encoding this protein. Understanding its function could lead to novel therapeutic strategies for managing this life-threatening condition.