Focused On-demand Library for Cytidine and dCMP deaminase domain-containing protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q9BWV3

UPID:

CDAC1_HUMAN

Alternative names:

Cytidine deaminase; Testis development protein NYD-SP15

Alternative UPACC:

Q9BWV3; Q49A08; Q4G119; Q5TAW9; Q7Z764; Q9NT36

Background:

Cytidine and dCMP deaminase domain-containing protein 1, also known as Cytidine deaminase and Testis development protein NYD-SP15, plays a crucial role in nucleotide metabolism by catalyzing the deamination of cytidine and deoxycytidine into uridine and deoxyuridine, respectively. This enzymatic activity is essential for DNA and RNA processing and repair, highlighting its significance in cellular functions. Furthermore, its involvement in testicular development and spermatogenesis suggests a specialized role in reproductive biology.

Therapeutic significance:

Understanding the role of Cytidine and dCMP deaminase domain-containing protein 1 could open doors to potential therapeutic strategies. Its pivotal function in nucleotide metabolism and testicular development positions it as a key target for interventions in reproductive health disorders and diseases related to nucleotide metabolism dysregulation.