Focused On-demand Library for Beta-Ala-His dipeptidase

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q96KN2

UPID:

CNDP1_HUMAN

Alternative names:

CNDP dipeptidase 1; Carnosine dipeptidase 1; Glutamate carboxypeptidase-like protein 2; Serum carnosinase

Alternative UPACC:

Q96KN2; Q14D40; Q17S05; Q2TBG0; Q6UWK2; Q9BT98

Background:

Beta-Ala-His dipeptidase, also known as CNDP dipeptidase 1, Carnosine dipeptidase 1, Glutamate carboxypeptidase-like protein 2, and Serum carnosinase, plays a crucial role in the metabolism of carnosine and anserine. It catalyzes the peptide bond hydrolysis in Xaa-His dipeptides, with a preference for beta-alanyl-L-histidine (carnosine) and beta-alanyl-3-methyl-histidine (anserine), showcasing its specificity and importance in biochemical pathways.

Therapeutic significance:

Understanding the role of Beta-Ala-His dipeptidase could open doors to potential therapeutic strategies, offering insights into novel approaches for targeting metabolic pathways and disorders.