Focused On-demand Library for Carbonic anhydrase 4

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner 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.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P22748

UPID:

CAH4_HUMAN

Alternative names:

Carbonate dehydratase IV; Carbonic anhydrase IV

Alternative UPACC:

P22748; B4DQA4; Q6FHI7

Background:

Carbonic anhydrase 4, also known as Carbonate dehydratase IV, plays a pivotal role in the reversible hydration of carbon dioxide, facilitating the maintenance of intracellular and extracellular pH. Its activity is crucial for acid overload removal from the retina and retinal epithelium, highlighting its importance in ocular health.

Therapeutic significance:

The protein's malfunction is directly linked to Retinitis pigmentosa 17, a condition characterized by progressive vision loss due to photoreceptor degeneration. This association underscores the potential of targeting Carbonic anhydrase 4 in developing treatments for this debilitating eye disease.