Focused On-demand Library for Lysyl oxidase homolog 2

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9Y4K0

UPID:

LOXL2_HUMAN

Alternative names:

Lysyl oxidase-like protein 2; Lysyl oxidase-related protein 2; Lysyl oxidase-related protein WS9-14

Alternative UPACC:

Q9Y4K0; B2R5Q0; Q53HV3; Q9BW70; Q9Y5Y8

Background:

Lysyl oxidase homolog 2 (LOXL2) plays a pivotal role in post-translational modifications, specifically through the oxidative deamination of lysine residues on target proteins. This process is crucial for the formation of allysine, a precursor to fibrous collagen and elastin in the extracellular matrix. LOXL2's activity is selective, targeting trimethylated 'Lys-4' of histone H3 (H3K4me3) to mediate transcriptional repression, while showing no activity against other methylated forms of histone H3. Its interaction with transcription factors and involvement in epithelial to mesenchymal transition (EMT) underscore its significance in cellular processes.

Therapeutic significance:

Understanding the role of Lysyl oxidase homolog 2 could open doors to potential therapeutic strategies, particularly in targeting diseases where EMT plays a critical role, such as in tumor progression and fibrosis. Its unique mechanism of action offers a novel target for drug discovery efforts aimed at modulating extracellular matrix dynamics and transcriptional repression pathways.