Focused On-demand Library for Peptidyl-prolyl cis-trans isomerase FKBP10

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q96AY3

UPID:

FKB10_HUMAN

Alternative names:

65 kDa FK506-binding protein; FK506-binding protein 10; Immunophilin FKBP65; Rotamase

Alternative UPACC:

Q96AY3; Q7Z3R4; Q9H3N3; Q9H6J3; Q9H6N5; Q9UF89

Background:

Peptidyl-prolyl cis-trans isomerase FKBP10, also known as FKBP65, plays a crucial role in protein folding through its PPIase activity. This enzyme, identified by the accession number Q96AY3, is essential in various cellular processes. Its alternative names include 65 kDa FK506-binding protein and Immunophilin FKBP65, highlighting its significance in immunophilin family and interaction with FK506.

Therapeutic significance:

FKBP10 is directly implicated in diseases such as Osteogenesis imperfecta 11 and Bruck syndrome 1, characterized by bone fragility and connective tissue disorders. Understanding the role of FKBP10 could open doors to potential therapeutic strategies for these genetic conditions, emphasizing the importance of targeted research in uncovering novel treatments.