Focused On-demand Library for Progranulin

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the target alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that accounts for conformational mobility in free and bound forms. The tentative binding pockets are considered on the protein-protein interface itself and in remote allosteric locations in order to cover the whole spectrum of possible mechanisms of action.

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

P28799

UPID:

GRN_HUMAN

Alternative names:

Acrogranin; Epithelin precursor; Glycoprotein of 88 Kda; Granulin precursor; PC cell-derived growth factor; Proepithelin

Alternative UPACC:

P28799; D3DX55; P23781; P23782; P23783; P23784; Q53HQ8; Q53Y88; Q540U8; Q9BWE7; Q9H8S1; Q9UCH0

Background:

Progranulin, known by alternative names such as Acrogranin and Granulin precursor, is a secreted protein pivotal in lysosomal function, inflammation, and cell proliferation. It regulates protein trafficking to lysosomes, enhances lysosomal enzyme activity, and is crucial in wound healing and cell growth. Progranulin's interaction with CTSD stabilizes it, maintaining its peptidase activity.

Therapeutic significance:

Linked to diseases like Ubiquitin-positive frontotemporal dementia and neuronal ceroid lipofuscinosis, Progranulin's role in neurodegeneration highlights its therapeutic potential. Understanding Progranulin's functions could lead to breakthroughs in treating these debilitating conditions.