Focused On-demand Library for Carbonic anhydrase 12

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O43570

UPID:

CAH12_HUMAN

Alternative names:

Carbonate dehydratase XII; Carbonic anhydrase XII; Tumor antigen HOM-RCC-3.1.3

Alternative UPACC:

O43570; B2RE24; Q53YE5; Q9BWG2

Background:

Carbonic anhydrase 12, also known as Carbonate dehydratase XII or Tumor antigen HOM-RCC-3.1.3, plays a crucial role in the reversible hydration of carbon dioxide. This enzyme is encoded by the gene with the accession number O43570 and is implicated in maintaining acid-base balance in tissues. Its alternative names highlight its diverse functions and importance in various biological processes.

Therapeutic significance:

The enzyme's association with Hyperchlorhidrosis, isolated, a disorder characterized by excessive sweating and increased sweat chloride levels, underscores its clinical relevance. Understanding the role of Carbonic anhydrase 12 could open doors to potential therapeutic strategies for managing this condition and improving patient quality of life.