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.
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
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P62942
UPID:
FKB1A_HUMAN
Alternative names:
12 kDa FK506-binding protein; Calstabin-1; FK506-binding protein 1A; Immunophilin FKBP12; Rotamase
Alternative UPACC:
P62942; D3DVW6; P20071; Q4VC47; Q6FGD9; Q6LEU3; Q9H103; Q9H566
Background:
Peptidyl-prolyl cis-trans isomerase FKBP1A, also known as FK506-binding protein 1A, plays a crucial role in protein folding through its peptidyl-prolyl isomerase activity. It regulates TGF-beta signaling by keeping TGFBR1 inactive in the absence of ligand and modulates activin signal by recruiting SMAD7 to ACVR1B. Additionally, it may influence RYR1 calcium channel activity.
Therapeutic significance:
Understanding the role of Peptidyl-prolyl cis-trans isomerase FKBP1A could open doors to potential therapeutic strategies.