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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P13647
UPID:
K2C5_HUMAN
Alternative names:
58 kDa cytokeratin; Cytokeratin-5; Keratin-5; Type-II keratin Kb5
Alternative UPACC:
P13647; Q6PI71; Q6UBJ0; Q8TA91
Background:
Keratin, type II cytoskeletal 5, also known as Cytokeratin-5, plays a crucial role in the formation of keratin intermediate filaments in the basal epidermis. This protein is essential for maintaining the skin barrier against mechanical stress. It also influences the recruitment of Langerhans cells to the epidermis, which is vital for skin immunity.
Therapeutic significance:
Mutations in the Keratin-5 gene lead to various forms of Epidermolysis bullosa simplex, a condition marked by skin fragility and blistering. Understanding the role of Keratin-5 could open doors to potential therapeutic strategies for these debilitating skin disorders.