Focused On-demand Library for Peptidyl-prolyl cis-trans isomerase FKBP1B

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.