Focused On-demand Libraries - Receptor.AI 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 Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
P04070

UPID:
PROC_HUMAN

ALTERNATIVE NAMES:
Anticoagulant protein C; Autoprothrombin IIA; Blood coagulation factor XIV

ALTERNATIVE UPACC:
P04070; B4DPQ7; Q15189; Q15190; Q16001; Q53S74; Q9UC55

BACKGROUND:
The function of Vitamin K-dependent protein C extends beyond its well-documented role in blood coagulation, where it inactivates coagulation factors Va and VIIIa. This protein, also known by names such as Anticoagulant protein C, Autoprothrombin IIA, and Blood coagulation factor XIV, is essential for maintaining the balance between coagulation and anticoagulation, thereby preventing thrombosis while ensuring adequate hemostasis.

THERAPEUTIC SIGNIFICANCE:
Given its crucial role in regulating blood coagulation, Vitamin K-dependent protein C is at the heart of research into hemostatic disorders. The protein's deficiency, leading to conditions like autosomal dominant and recessive thrombophilia, underscores the importance of targeted therapeutic interventions. Exploring the therapeutic potential of Vitamin K-dependent protein C could revolutionize the treatment of thrombophilia and related coagulation disorders.

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