Focused On-demand Library for Receptor-type tyrosine-protein phosphatase N2

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused 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

Q92932

UPID:

PTPR2_HUMAN

Alternative names:

Islet cell autoantigen-related protein; Phogrin

Alternative UPACC:

Q92932; E9PC57; Q8N4I5; Q92662; Q9Y4F8; Q9Y4I6

Background:

Receptor-type tyrosine-protein phosphatase N2, also known as Phogrin and Islet cell autoantigen-related protein, plays a crucial role in vesicle-mediated secretory processes. It is essential for the normal accumulation of secretory vesicles in the hippocampus, pituitary, and pancreatic islets, facilitating the accumulation of insulin-containing vesicles and preventing their degradation. This protein is pivotal in insulin secretion in response to glucose stimuli and maintains normal levels of neurotransmitters such as norepinephrine, dopamine, and serotonin in the brain. It also has a significant role in the regulation of pituitary hormones and renin expression.

Therapeutic significance:

Understanding the role of Receptor-type tyrosine-protein phosphatase N2 could open doors to potential therapeutic strategies, especially in the management of diabetes through its involvement in insulin secretion and the maintenance of neurotransmitter levels, which could influence psychiatric disorders.