Focused On-demand Library for Regenerating islet-derived protein 3-alpha

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q06141

UPID:

REG3A_HUMAN

Alternative names:

Hepatointestinal pancreatic protein; Human proislet peptide; Pancreatitis-associated protein 1; Regenerating islet-derived protein III-alpha

Alternative UPACC:

Q06141

Background:

Regenerating islet-derived protein 3-alpha, known by alternative names such as Hepatointestinal pancreatic protein and Pancreatitis-associated protein 1, plays a crucial role in the body's defense against Gram-positive bacteria. It achieves this by binding to carbohydrate moieties of peptidoglycan and forming a hexameric pore in bacterial membranes. Additionally, it functions as a hormone, influencing cell proliferation, differentiation, and inflammatory responses through various signaling pathways.

Therapeutic significance:

Understanding the role of Regenerating islet-derived protein 3-alpha could open doors to potential therapeutic strategies. Its ability to modulate immune responses and influence cell proliferation makes it a promising target for developing treatments for skin injuries and possibly enhancing pancreatic beta-cell function.