Focused On-demand Library for Tricarboxylate transport protein, mitochondrial

Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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
Receptor.AI
 
UPACC
P53007

UPID:
TXTP_HUMAN

ALTERNATIVE NAMES:
Citrate transport protein; Mitochondrial citrate carrier; Solute carrier family 25 member 1; Tricarboxylate carrier protein

ALTERNATIVE UPACC:
P53007; A8K8E8; Q9BSK6

BACKGROUND:
The Mitochondrial citrate carrier, identified as Solute carrier family 25 member 1, is pivotal in mitochondrial citrate-malate exchange, influencing key metabolic processes. Its role extends to the regulation of glycolysis and the biosynthesis of critical biomolecules, highlighting its significance in cellular metabolism. Additionally, its involvement in neuromuscular junction development suggests a broader physiological impact.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of the Mitochondrial citrate carrier could open doors to potential therapeutic strategies for addressing Combined D-2- and L-2-hydroxyglutaric aciduria and congenital Myasthenic syndrome, 23, presynaptic. Its direct association with these diseases positions it as a promising target for drug discovery, aiming to alleviate symptoms or potentially cure these genetic disorders.

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