Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6XPR3
UPID:
RPTN_HUMAN
Alternative names:
-
Alternative UPACC:
Q6XPR3; B7ZBZ3
Background:
Repetin, encoded by the gene symbol Q6XPR3, plays a crucial role in the formation of the cornified cell envelope, a key component in the skin's barrier function. It is a multifunctional epidermal matrix protein known for its ability to reversibly bind calcium, which is vital for its function in the skin's outermost layers.
Therapeutic significance:
Understanding the role of Repetin could open doors to potential therapeutic strategies. Its involvement in skin barrier formation positions it as a potential target for treating various skin conditions and enhancing skin health.