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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P68106
UPID:
FKB1B_HUMAN
Alternative names:
12.6 kDa FK506-binding protein; FK506-binding protein 1B; Immunophilin FKBP12.6; Rotamase; h-FKBP-12
Alternative UPACC:
P68106; Q13664; Q16645; Q53TM2; Q9BQ40
Background:
Peptidyl-prolyl cis-trans isomerase FKBP1B, also known as FK506-binding protein 1B, Immunophilin FKBP12.6, and Rotamase, plays a crucial role in protein folding through the cis-trans isomerization of proline imidic peptide bonds in oligopeptides. This process is essential for the proper functioning of proteins, influencing their structure and interactions within the cell.
Therapeutic significance:
Understanding the role of Peptidyl-prolyl cis-trans isomerase FKBP1B could open doors to potential therapeutic strategies. Its involvement in protein folding mechanisms offers a unique target for modulating cellular functions, which could lead to innovative treatments for diseases where protein misfolding is a contributing factor.