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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

Our high-tech, dedicated method is applied to construct targeted 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:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P45877

UPID:

PPIC_HUMAN

Alternative names:

Cyclophilin C; Rotamase C

Alternative UPACC:

P45877; A4LBB5

Background:

Peptidyl-prolyl cis-trans isomerase C, also known as Cyclophilin C or Rotamase C, plays a crucial role in protein folding through its PPIase activity, catalyzing the cis-trans isomerization of proline imidic peptide bonds in oligopeptides. This enzymatic function is vital for the proper folding and function of proteins, impacting a wide range of biological processes.

Therapeutic significance:

Understanding the role of Peptidyl-prolyl cis-trans isomerase C could open doors to potential therapeutic strategies. Its pivotal role in protein folding highlights its importance in cellular functions and its potential as a target for drug discovery, aiming to modulate protein misfolding diseases.