Focused On-demand Library for Electrogenic aspartate/glutamate antiporter SLC25A12, mitochondrial

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 Reaxense.


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 use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
O75746

UPID:
S2512_HUMAN

ALTERNATIVE NAMES:
Araceli hiperlarga; Mitochondrial aspartate glutamate carrier 1; Solute carrier family 25 member 12

ALTERNATIVE UPACC:
O75746; B3KR64; Q96AM8

BACKGROUND:
SLC25A12, known for its roles as Mitochondrial aspartate glutamate carrier 1 and Araceli hiperlarga, is pivotal in mitochondrial metabolism. It mediates the mitochondrial uptake of L-cysteinesulfinate, crucial for aspartate and glutamate transport, impacting energy production and amino acid metabolism.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Electrogenic aspartate/glutamate antiporter SLC25A12 could open doors to potential therapeutic strategies for combating Developmental and epileptic encephalopathy 39 with leukodystrophy, highlighting its significance in drug discovery.

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