Focused On-demand Library for Receptor-interacting serine/threonine-protein kinase 4

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P57078

UPID:

RIPK4_HUMAN

Alternative names:

Ankyrin repeat domain-containing protein 3; PKC-delta-interacting protein kinase

Alternative UPACC:

P57078; Q96KH0

Background:

Receptor-interacting serine/threonine-protein kinase 4, also known as Ankyrin repeat domain-containing protein 3 or PKC-delta-interacting protein kinase, plays a pivotal role in stratified epithelial development. It is a direct transcriptional target of TP63 and is involved in NF-kappa-B activation, highlighting its significance in cellular signaling pathways.

Therapeutic significance:

Linked to Bartsocas-Papas syndrome and CHAND syndrome, this protein's genetic variants underscore its clinical importance. Understanding the role of Receptor-interacting serine/threonine-protein kinase 4 could open doors to potential therapeutic strategies for these genetic disorders.