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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q99456
UPID:
K1C12_HUMAN
Alternative names:
Cytokeratin-12; Keratin-12
Alternative UPACC:
Q99456; B2R9E0
Background:
Keratin, type I cytoskeletal 12, also known as Cytokeratin-12 or Keratin-12, plays a pivotal role in the organization, integrity, and expression of corneal keratin in the epithelium. This protein's involvement is crucial for maintaining the structural and functional stability of the corneal epithelium.
Therapeutic significance:
Mutations in Keratin-12 are directly linked to Meesmann corneal dystrophy, a condition marked by corneal fragility leading to visual impairment. Understanding the role of Keratin-12 could open doors to potential therapeutic strategies aimed at enhancing corneal health and preventing vision loss.