Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q02413
UPID:
DSG1_HUMAN
Alternative names:
Cadherin family member 4; Desmosomal glycoprotein 1; Pemphigus foliaceus antigen
Alternative UPACC:
Q02413; B7Z845
Background:
Desmoglein-1, known as Cadherin family member 4, Desmosomal glycoprotein 1, and Pemphigus foliaceus antigen, plays a crucial role in cell-cell adhesion by being a component of intercellular desmosome junctions. It facilitates the interaction between plaque proteins and intermediate filaments, ensuring cellular cohesion.
Therapeutic significance:
Desmoglein-1 is implicated in Palmoplantar keratoderma 1 and Erythroderma, congenital, with palmoplantar keratoderma, hypotrichosis, and hyper IgE. These conditions highlight the protein's critical role in skin integrity and immune response, suggesting that targeting Desmoglein-1 could lead to novel treatments for these dermatological and immunological disorders.