Focused On-demand Library for Adenosine 5'-monophosphoramidase HINT1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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 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

P49773

UPID:

HINT1_HUMAN

Alternative names:

Desumoylating isopeptidase HINT1; Histidine triad nucleotide-binding protein 1; Protein kinase C inhibitor 1; Protein kinase C-interacting protein 1

Alternative UPACC:

P49773; Q9H5W8

Background:

Adenosine 5'-monophosphoramidase HINT1, also known as Histidine triad nucleotide-binding protein 1, plays a crucial role in cellular processes through its enzymatic activities, including hydrolyzing purine nucleotide phosphoramidates. It functions in modulating transcriptional activation, apoptosis, proteasomal degradation of proteins, and deconjugating SUMO1 from target proteins. Its ability to interact with various molecules underscores its significance in cellular signaling and regulation.

Therapeutic significance:

The involvement of HINT1 in Neuromyotonia and axonal neuropathy, an autosomal recessive disorder, highlights its potential as a therapeutic target. Understanding the role of Adenosine 5'-monophosphoramidase HINT1 could open doors to potential therapeutic strategies for treating neurological disorders characterized by peripheral axonal neuropathy and delayed muscle relaxation.