Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q13835
UPID:
PKP1_HUMAN
Alternative names:
Band 6 protein
Alternative UPACC:
Q13835; O00645; Q14CA0; Q15152
Background:
Plakophilin-1, also known as Band 6 protein, plays a pivotal role in epidermal morphogenesis and is crucial for the structural integrity of junctional plaques. It aids in the formation of intermediate filaments, contributing to the robust architecture of the skin, hair, and nails.
Therapeutic significance:
Plakophilin-1's mutation leads to Ectodermal dysplasia-skin fragility syndrome, characterized by cutaneous fragility and abnormalities in ectodermal structures. Understanding the role of Plakophilin-1 could open doors to potential therapeutic strategies for this condition.