Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P13646
UPID:
K1C13_HUMAN
Alternative names:
Cytokeratin-13; Keratin-13
Alternative UPACC:
P13646; Q53G54; Q6AZK5; Q8N240
Background:
Keratin, type I cytoskeletal 13, also known as Cytokeratin-13 or Keratin-13, plays a crucial role in maintaining the structural integrity of epithelial cells. It is particularly significant in the postnatal tongue mucosa, where it helps in cell homeostasis and tissue organization under mechanical stress. This is achieved through the regulation of G1/S phase cyclins CCNE1 and CCNE2.
Therapeutic significance:
Keratin-13's involvement in White sponge nevus 2, a rare disorder affecting oral mucosa, highlights its potential as a therapeutic target. Understanding the role of Keratin-13 could open doors to potential therapeutic strategies for treating or managing this condition.