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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P35908
UPID:
K22E_HUMAN
Alternative names:
Cytokeratin-2e; Epithelial keratin-2e; Keratin-2 epidermis; Keratin-2e; Type-II keratin Kb2
Alternative UPACC:
P35908; Q4VAQ2
Background:
Keratin, type II cytoskeletal 2 epidermal, known by alternative names such as Cytokeratin-2e and Keratin-2e, plays a crucial role in skin health. It is pivotal in terminal cornification, keratinocyte activation, proliferation, and keratinization. This protein is essential for maintaining corneocytes and keratin filaments in suprabasal keratinocytes, contributing significantly to the epidermal barrier's integrity, especially on plantar skin.
Therapeutic significance:
The protein's mutation is linked to Ichthyosis bullosa of Siemens, a rare skin disorder characterized by erythema, blistering, and hyperkeratosis. Understanding the role of Keratin, type II cytoskeletal 2 epidermal, could open doors to potential therapeutic strategies for this condition, highlighting its importance in dermatological research and treatment development.