Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
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.