Focused On-demand Library for Cancer-related nucleoside-triphosphatase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q9BSD7

UPID:

NTPCR_HUMAN

Alternative names:

Nucleoside triphosphate phosphohydrolase

Alternative UPACC:

Q9BSD7

Background:

The Cancer-related nucleoside-triphosphatase, also known as Nucleoside triphosphate phosphohydrolase, exhibits a crucial enzymatic activity by hydrolyzing ATP, GTP, CTP, TTP, and UTP. Its ability to also hydrolyze nucleoside diphosphates, albeit with lower efficiency, underscores its versatile role in cellular metabolism.

Therapeutic significance:

Understanding the role of Cancer-related nucleoside-triphosphatase could open doors to potential therapeutic strategies. Its enzymatic functions suggest a pivotal role in nucleotide metabolism, which is essential for cell growth and proliferation, making it a potential target for cancer therapy.