Focused On-demand Library for Tyrosine-protein kinase HCK

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.

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.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P08631

UPID:

HCK_HUMAN

Alternative names:

Hematopoietic cell kinase; Hemopoietic cell kinase; p59-HCK/p60-HCK; p59Hck; p61Hck

Alternative UPACC:

P08631; A8K1I1; B4DQB6; E1P5M2; Q29RX1; Q2VPE2; Q504R5; Q5T7K1; Q5T7K2; Q96CC0; Q9H5Y5; Q9NUA4; Q9UMJ5

Background:

Tyrosine-protein kinase HCK, also known as Hematopoietic cell kinase, plays a pivotal role in the regulation of innate immune responses. It is crucial for the functions of neutrophils, monocytes, macrophages, and mast cells, influencing processes such as phagocytosis, cell survival, and migration. HCK acts downstream of various receptors, including FCGR1A, FCGR2A, and integrins like ITGB1, facilitating actin reorganization and promoting cell protrusions.

Therapeutic significance:

The involvement of HCK in Autoinflammation with pulmonary and cutaneous vasculitis highlights its potential as a therapeutic target. Understanding the role of HCK could open doors to novel strategies for treating this disorder, characterized by chronic pulmonary inflammation and cutaneous vasculitis, offering hope for patients suffering from this debilitating condition.