Focused On-demand Library for Glypican-3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P51654

UPID:

GPC3_HUMAN

Alternative names:

GTR2-2; Intestinal protein OCI-5; MXR7

Alternative UPACC:

P51654; C9JLE3; G3V1R0; Q2L880; Q2L882

Background:

Glypican-3, known by alternative names such as GTR2-2, Intestinal protein OCI-5, and MXR7, is a cell surface proteoglycan that plays a pivotal role in various signaling pathways. It regulates the hedgehog signaling pathway, positively influences the canonical and non-canonical Wnt signaling pathways, and modulates the effects of growth factors on renal branching morphogenesis and skeletal development.

Therapeutic significance:

Glypican-3 is implicated in Simpson-Golabi-Behmel syndrome 1, a genetic disorder characterized by pre- and postnatal overgrowth, facial dysmorphism, and various visceral and skeletal malformations. Understanding the role of Glypican-3 could open doors to potential therapeutic strategies for this syndrome and other related conditions.