Focused On-demand Library for Serine/threonine-protein kinase TAO1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

Our high-tech, dedicated method is applied to construct targeted 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.

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

Q7L7X3

UPID:

TAOK1_HUMAN

Alternative names:

Kinase from chicken homolog B; MARK Kinase; Prostate-derived sterile 20-like kinase 2; Thousand and one amino acid protein kinase 1

Alternative UPACC:

Q7L7X3; A2RUT8; B7ZLV6; Q96L75; Q9H2K7; Q9H7S5; Q9P2I6

Background:

Serine/threonine-protein kinase TAO1, also known as Kinase from chicken homolog B, MARK Kinase, Prostate-derived sterile 20-like kinase 2, and Thousand and one amino acid protein kinase 1, plays a pivotal role in various cellular processes. These include the p38/MAPK14 stress-activated MAPK cascade, DNA damage response, regulation of cytoskeleton stability, G-protein coupled receptor signaling, and apoptosis. It is essential for neuronal development in the central nervous system.

Therapeutic significance:

The involvement of Serine/threonine-protein kinase TAO1 in developmental delay with or without intellectual impairment or behavioral abnormalities highlights its potential as a target for therapeutic intervention. Understanding the role of Serine/threonine-protein kinase TAO1 could open doors to potential therapeutic strategies.