Focused On-demand Library for Lysyl oxidase homolog 3

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

P58215

UPID:

LOXL3_HUMAN

Alternative names:

Lysyl oxidase-like protein 3

Alternative UPACC:

P58215; D6W5J1; Q2EHP2; Q6IPL7; Q96RS1

Background:

Lysyl oxidase homolog 3, also known as Lysyl oxidase-like protein 3, plays a crucial role in the biosynthesis of connective tissue. It mediates the oxidation of peptidyl lysine residues to allysine in proteins such as elastin and collagens, essential for the structural integrity and function of connective tissues. This enzyme is pivotal in somite boundary formation and inflammatory response regulation, showcasing its versatility in cellular processes.

Therapeutic significance:

Linked to Myopia 28, an autosomal recessive condition characterized by early-onset high myopia, Lysyl oxidase homolog 3's dysfunction underscores its clinical relevance. Understanding its role could pave the way for innovative treatments targeting connective tissue disorders and inflammatory diseases, offering hope for patients with Myopia 28 and potentially other related conditions.