Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q86YT5
UPID:
S13A5_HUMAN
Alternative names:
Sodium-coupled citrate transporter; Sodium-dependent citrate transporter; Solute carrier family 13 member 5
Alternative UPACC:
Q86YT5; B3KXR0; B7Z4P2; B7ZLB4; F8W7N2; Q6ZMG1
Background:
The Na(+)/citrate cotransporter, also known as Sodium-coupled citrate transporter or Solute carrier family 13 member 5, plays a pivotal role in cellular metabolism. It facilitates the high-affinity transport of citrate into cells, a key component in energy production and biosynthetic pathways. This protein operates in a Na(+)-dependent manner, primarily recognizing the trivalent form of citrate at physiological pH, and exhibits a lower affinity for succinate.
Therapeutic significance:
The protein's involvement in Developmental and epileptic encephalopathy 25, with amelogenesis imperfecta, underscores its clinical importance. Understanding the role of Na(+)/citrate cotransporter could open doors to potential therapeutic strategies for this severe neurological disorder, offering hope for targeted interventions.