Focused On-demand Library for Serine/threonine-protein kinase Nek10

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q6ZWH5

UPID:

NEK10_HUMAN

Alternative names:

Never in mitosis A-related kinase 10

Alternative UPACC:

Q6ZWH5; A8MWG1; B9ZVR0; Q45VJ4; Q6ZR11; Q7Z671; Q86XB1; Q96MB3

Background:

Serine/threonine-protein kinase Nek10, also known as Never in mitosis A-related kinase 10, plays a crucial role in the cellular response to UV irradiation. It is pivotal in mediating G2/M cell cycle arrest, MEK autoactivation, and the activation of the ERK1/2-signaling pathway following UV exposure. Additionally, in the ciliated cells of airways, Nek10 regulates mucociliary transport, essential for respiratory health.

Therapeutic significance:

Nek10's involvement in primary ciliary dyskinesia, specifically Ciliary dyskinesia, primary, 44, underscores its therapeutic potential. This autosomal recessive disease, characterized by motile cilia abnormalities leading to chronic respiratory infections, highlights the importance of Nek10 in respiratory health. Understanding the role of Serine/threonine-protein kinase Nek10 could open doors to potential therapeutic strategies for respiratory diseases.