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

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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q8TF76

UPID:

HASP_HUMAN

Alternative names:

Germ cell-specific gene 2 protein; H-haspin; Haploid germ cell-specific nuclear protein kinase

Alternative UPACC:

Q8TF76; Q5U5K3; Q96MN1; Q9BXS7

Background:

Serine/threonine-protein kinase haspin, also known as Germ cell-specific gene 2 protein, H-haspin, and Haploid germ cell-specific nuclear protein kinase, plays a pivotal role in cell division. It phosphorylates histone H3 at 'Thr-3' during mitosis, influencing chromosomal passenger complex (CPC) positioning and activation at centromeres. This action is crucial for proper chromatid cohesion, metaphase alignment, and cell cycle progression.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase haspin could open doors to potential therapeutic strategies. Its involvement in key cell division processes makes it a promising target for cancer therapy, where regulation of mitosis is often disrupted.