AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 5'-nucleotidase domain-containing protein 4

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q86YG4

UPID:

NT5D4_HUMAN

Alternative names:

-

Alternative UPACC:

Q86YG4

Background:

The 5'-nucleotidase domain-containing protein 4, identified by its unique accession number Q86YG4, plays a crucial role in nucleotide metabolism. This protein is involved in the hydrolysis of nucleotides to nucleosides, a fundamental process in the cellular energy transfer and signaling pathways. Its specific functions and interactions within the cell offer a rich field for exploration, given its potential involvement in key biological processes.

Therapeutic significance:

Understanding the role of 5'-nucleotidase domain-containing protein 4 could open doors to potential therapeutic strategies. While direct associations with diseases are yet to be established, the protein's fundamental role in nucleotide metabolism suggests its potential impact on conditions related to energy transfer and cellular signaling. Investigating this protein could lead to novel insights into metabolic disorders and pave the way for innovative treatments.

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