Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 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
Q9UQB9

UPID:
AURKC_HUMAN

ALTERNATIVE NAMES:
Aurora 3; Aurora/IPL1-related kinase 3; Aurora/IPL1/Eg2 protein 2; Serine/threonine-protein kinase 13; Serine/threonine-protein kinase aurora-C

ALTERNATIVE UPACC:
Q9UQB9; O60681; O75442; Q6AZY8; Q6DLZ0; Q9UPK5

BACKGROUND:
Serine/threonine-protein kinase aurora-C, also known as Aurora/IPL1-related kinase 3, is integral to mitosis and meiosis, ensuring proper chromosome alignment and segregation. It phosphorylates several key proteins, including histone H3, BIRC5/survivin, and INCENP, enhancing CPC complex activity and facilitating cell division.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Aurora kinase C could open doors to potential therapeutic strategies for addressing Spermatogenic failure 5, an infertility disorder caused by spermatogenesis defects. This insight highlights the protein's significance in reproductive health and disease.

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