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.
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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P22223
UPID:
CADH3_HUMAN
Alternative names:
Placental cadherin
Alternative UPACC:
P22223; B2R6F4; Q05DI6
Background:
Cadherin-3, also known as Placental cadherin, is a calcium-dependent cell adhesion protein vital for the sorting of heterogeneous cell types through homophilic interactions. This protein plays a crucial role in connecting cells and maintaining the integrity of tissue structure.
Therapeutic significance:
Cadherin-3's involvement in Hypotrichosis congenital with juvenile macular dystrophy and Ectodermal dysplasia, ectrodactyly, and macular dystrophy syndrome highlights its potential as a target for therapeutic intervention. Understanding the role of Cadherin-3 could open doors to potential therapeutic strategies for these genetic disorders.