Focused On-demand Library for Axin-2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 use our state-of-the-art dedicated workflow for designing 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

Q9Y2T1

UPID:

AXIN2_HUMAN

Alternative names:

Axin-like protein; Axis inhibition protein 2; Conductin

Alternative UPACC:

Q9Y2T1; Q3MJ88; Q9H3M6; Q9UH84

Background:

Axin-2, also known as Axis inhibition protein 2, Conductin, and Axin-like protein, plays a pivotal role in the Wnt signaling pathway, a critical axis in cellular growth and differentiation processes. By down-regulating beta-catenin, Axin-2 facilitates its phosphorylation alongside APC by GSK3B, thus inhibiting Wnt signaling. This regulation is crucial for maintaining cellular homeostasis and preventing uncontrolled cell proliferation.

Therapeutic significance:

Axin-2's involvement in colorectal cancer and Oligodontia-colorectal cancer syndrome highlights its potential as a therapeutic target. The protein's role in the pathogenesis of these diseases, through its regulation of the Wnt signaling pathway, suggests that modulating its activity could offer new avenues for treatment. Understanding the role of Axin-2 could open doors to potential therapeutic strategies, particularly in combating colorectal cancer, where genetic alterations in the Wnt pathway are a common feature.