Focused On-demand Library for Desmocollin-3

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Q14574

UPID:

DSC3_HUMAN

Alternative names:

Cadherin family member 3; Desmocollin-4; HT-CP

Alternative UPACC:

Q14574; A6NN35; Q14200; Q9HAZ9

Background:

Desmocollin-3, also known as Cadherin family member 3, Desmocollin-4, and HT-CP, plays a crucial role in cell-cell adhesion by being a component of intercellular desmosome junctions. It is pivotal in the interaction of plaque proteins and intermediate filaments, contributing to epidermal cell positioning and stratification by mediating differential adhesiveness between cells expressing different isoforms.

Therapeutic significance:

Desmocollin-3's involvement in Hypotrichosis and recurrent skin vesicles, a disorder characterized by sparse hair and skin vesicle formation, underscores its therapeutic potential. Understanding the role of Desmocollin-3 could open doors to potential therapeutic strategies for skin and hair disorders.