Focused On-demand Library for Tricarboxylate transport protein, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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 Tricarboxylate transport protein, mitochondrial, also known as Citrate transport protein, plays a crucial role in cellular energy metabolism. It facilitates the exchange of citrate from the mitochondria to the cytosol, impacting glycolysis regulation and acetyl-CoA production, essential for fatty acids and sterols synthesis. This protein's activity is vital for neuromuscular junction formation, indicating its importance in muscle function and neurological health.

Therapeutic significance:

Linked to Combined D-2- and L-2-hydroxyglutaric aciduria and congenital Myasthenic syndrome, 23, presynaptic, the Tricarboxylate transport protein's dysfunction underscores its therapeutic potential. Targeting its pathway could offer novel treatments for these neurometabolic and neuromuscular disorders, emphasizing the need for advanced research in its mechanism and therapeutic applications.