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.
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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused 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
P02533
UPID:
K1C14_HUMAN
Alternative names:
Cytokeratin-14; Keratin-14
Alternative UPACC:
P02533; Q14715; Q53XY3; Q9BUE3; Q9UBN2; Q9UBN3; Q9UCY4
Background:
Keratin, type I cytoskeletal 14, also known as Cytokeratin-14 or Keratin-14, plays a pivotal role in the structural integrity of epithelial cells. Its nonhelical tail domain is crucial for organizing KRT5-KRT14 filaments into large bundles, enhancing the mechanical resilience of keratin intermediate filaments.
Therapeutic significance:
Keratin-14 is implicated in various forms of epidermolysis bullosa simplex, a spectrum of skin fragility disorders, and rare ectodermal dysplasias like Naegeli-Franceschetti-Jadassohn syndrome and Dermatopathia pigmentosa reticularis. Understanding its role could lead to targeted therapies for these debilitating conditions.