Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening 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:


  • 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
Receptor.AI
 
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:
The protein FKBP10, with aliases such as FK506-binding protein 10 and Rotamase, is pivotal in accelerating protein synthesis via its peptidyl-prolyl cis-trans isomerase activity. This enzyme's function underscores its vital role in the proper folding of proteins, an essential process for maintaining cellular integrity and function.

THERAPEUTIC SIGNIFICANCE:
Given FKBP10's involvement in conditions like Osteogenesis imperfecta 11 and Bruck syndrome 1, which lead to severe skeletal abnormalities, the exploration of FKBP10's biological mechanisms offers promising avenues for therapeutic intervention. The development of drugs targeting FKBP10's activity could significantly advance treatment options for patients suffering from these debilitating disorders.

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