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.
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 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P08779
UPID:
K1C16_HUMAN
Alternative names:
Cytokeratin-16; Keratin-16
Alternative UPACC:
P08779; A8K488; P30654; Q16402; Q9UBG8
Background:
Keratin, type I cytoskeletal 16, also known as Cytokeratin-16 or Keratin-16, is an epidermis-specific type I keratin crucial for skin integrity. It plays a pivotal role in skin, acting as a regulator of innate immunity in response to skin barrier breach. This protein is essential for the maintenance of skin barrier and inflammatory checkpoints.
Therapeutic significance:
Keratin-16 is linked to Pachyonychia congenita 1 and Keratoderma, palmoplantar, non-epidermolytic, focal 1, diseases characterized by skin abnormalities. Understanding the role of Keratin-16 could open doors to potential therapeutic strategies for these dermatological disorders.