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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.