Focused On-demand Library for CTP synthase 2

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 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q9NRF8

UPID:

PYRG2_HUMAN

Alternative names:

CTP synthetase 2; UTP--ammonia ligase 2

Alternative UPACC:

Q9NRF8; B3KWM2; Q9BRI0; Q9H809; Q9H8K9

Background:

CTP synthase 2, also known as UTP--ammonia ligase 2, plays a pivotal role in nucleotide biosynthesis by catalyzing the ATP-dependent conversion of UTP to CTP, utilizing L-glutamine or ammonia as nitrogen sources. This enzyme is crucial for the synthesis of cytosine nucleotides, serving as the rate-limiting step in this biochemical pathway.

Therapeutic significance:

Understanding the role of CTP synthase 2 could open doors to potential therapeutic strategies. Its central function in nucleotide biosynthesis makes it a potential target for interventions in diseases where nucleotide balance is disrupted.