Focused On-demand Library for Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial

Focused On-demand Libraries - Reaxense 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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Reaxense

upacc

Q9UJS0

UPID:

S2513_HUMAN

Alternative names:

Calcium-binding mitochondrial carrier protein Aralar2; Citrin; Mitochondrial aspartate glutamate carrier 2; Solute carrier family 25 member 13

Alternative UPACC:

Q9UJS0; O14566; O14575; Q546F9; Q9NZW1; Q9UNI7

Background:

The Electrogenic aspartate/glutamate antiporter SLC25A13, also known as Citrin and mitochondrial aspartate glutamate carrier 2, plays a crucial role in cellular metabolism. It facilitates the exchange of aspartate and glutamate across the mitochondrial membrane, integral to the malate-aspartate shuttle, a key process in cellular respiration and energy production.

Therapeutic significance:

Mutations in SLC25A13 are linked to Citrullinemia type 2 and neonatal intrahepatic cholestasis caused by citrin deficiency. These conditions underscore the protein's vital role in metabolic pathways and highlight the potential for targeted therapies to correct metabolic imbalances and prevent severe neuropsychiatric symptoms and liver dysfunction.