Focused On-demand Library for Solute carrier family 22 member 12

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

Q96S37

UPID:

S22AC_HUMAN

Alternative names:

Organic anion transporter 4-like protein; Renal-specific transporter; Urate anion exchanger 1; Urate:anion antiporter SLC22A12

Alternative UPACC:

Q96S37; B7WPG1; G3XAN7; Q19PF7; Q19PF8; Q19PF9; Q19PG0; Q6UXW3; Q96DT2

Background:

Solute carrier family 22 member 12 (SLC22A12), also known as Urate anion exchanger 1, plays a pivotal role in urate homeostasis. It functions as an electroneutral antiporter, facilitating the exchange of urate with organic or inorganic anions across the renal proximal tubule cells. This process is crucial for the renal reabsorption of urate, thereby maintaining optimal blood levels of uric acid.

Therapeutic significance:

Mutations in SLC22A12 are linked to Hypouricemia renal 1, a condition characterized by impaired uric acid reabsorption, leading to high urinary urate excretion. This can result in acute renal failure, chronic renal dysfunction, and nephrolithiasis. Understanding the role of SLC22A12 could open doors to potential therapeutic strategies for managing urate-related disorders.