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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9NWM8
UPID:
FKB14_HUMAN
Alternative names:
22 kDa FK506-binding protein; FK506-binding protein 14; Rotamase
Alternative UPACC:
Q9NWM8
Background:
Peptidyl-prolyl cis-trans isomerase FKBP14, also known as the 22 kDa FK506-binding protein, plays a crucial role in protein folding with a preference for substrates containing 4-hydroxylproline modifications. This protein targets various collagen types, including type III, VI, and X, essential for connective tissue integrity.
Therapeutic significance:
FKBP14's involvement in Ehlers-Danlos syndrome, kyphoscoliotic type 2, underscores its therapeutic significance. This condition, characterized by connective tissue disorders, highlights the protein's potential as a target for developing treatments aimed at ameliorating symptoms and improving patient quality of life.