Focused On-demand Library for Adenosine 5'-monophosphoramidase HINT2

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 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9BX68

UPID:

HINT2_HUMAN

Alternative names:

HINT-3; HIT-17kDa; Histidine triad nucleotide-binding protein 2, mitochondrial; PKCI-1-related HIT protein

Alternative UPACC:

Q9BX68; Q5TCW3

Background:

Adenosine 5'-monophosphoramidase HINT2, also known as HINT-3, HIT-17kDa, and PKCI-1-related HIT protein, is a mitochondrial protein with a pivotal role in hydrolyzing purine nucleotide phosphoramidates. This enzyme specifically targets compounds like adenosine 5'monophosphoramidate (AMP-NH2) and adenosine 5'-O-p-nitrophenylphosphoramidate (AMP-pNA), converting them into AMP and NH2. Its activity extends to the hydrolysis of fluorogenic purine nucleoside tryptamine phosphoramidates in vitro, showcasing its broad substrate specificity.

Therapeutic significance:

Understanding the role of Adenosine 5'-monophosphoramidase HINT2 could open doors to potential therapeutic strategies. Its involvement in crucial biological processes such as steroid biosynthesis and apoptosis highlights its significance in cellular metabolism and survival, presenting a promising target for drug discovery.