Focused On-demand Library for Desmoglein-4

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

Q86SJ6

UPID:

DSG4_HUMAN

Alternative names:

Cadherin family member 13

Alternative UPACC:

Q86SJ6; A2RUI1; Q6Y9L9; Q8IXV4

Background:

Desmoglein-4, also known as Cadherin family member 13, plays a crucial role in the formation of intercellular desmosome junctions. It is pivotal in facilitating cell-cell adhesion and orchestrating the transition from proliferation to differentiation in hair follicle keratinocytes. This protein's function underscores its importance in maintaining the structural integrity and function of the skin and hair follicles.

Therapeutic significance:

Desmoglein-4's involvement in Hypotrichosis 6, a condition marked by reduced hair quantity and abnormal hair follicles, highlights its potential as a therapeutic target. Understanding the role of Desmoglein-4 could open doors to potential therapeutic strategies for treating hair growth disorders and improving skin health.