Focused On-demand Library for Protein-lysine 6-oxidase

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

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

P28300

UPID:

LYOX_HUMAN

Alternative names:

Lysyl oxidase

Alternative UPACC:

P28300; B2R5Q3; Q5FWF0

Background:

Protein-lysine 6-oxidase, also known as Lysyl oxidase, plays a pivotal role in the biosynthesis of connective tissue by catalyzing the oxidative deamination of peptidyl lysine residues in collagen and elastin precursors. This enzymatic process is crucial for the cross-linking of collagen and elastin, which contributes to the structural integrity and elasticity of tissues. Additionally, Lysyl oxidase has been implicated in the regulation of Ras expression and may have a tumor-suppressive function.

Therapeutic significance:

Given its critical role in maintaining aortic wall architecture and its association with familial thoracic aortic aneurysm 10, Lysyl oxidase represents a promising target for therapeutic intervention in connective tissue disorders and cardiovascular diseases. Understanding the role of Lysyl oxidase could open doors to potential therapeutic strategies aimed at preventing or treating conditions characterized by compromised tissue integrity.