Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 utilise our cutting-edge, exclusive workflow to develop focused 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.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P12429

UPID:
ANXA3_HUMAN

ALTERNATIVE NAMES:
35-alpha calcimedin; Annexin III; Annexin-3; Inositol 1,2-cyclic phosphate 2-phosphohydrolase; Lipocortin III; Placental anticoagulant protein III

ALTERNATIVE UPACC:
P12429; B2R9W6; Q6LET2

BACKGROUND:
The protein Annexin A3, also referred to as Annexin-3 and Placental anticoagulant protein III, is integral to the regulation of inflammatory responses and coagulation pathways. It inhibits phospholipase A2 and has anti-coagulant capabilities, further participating in the conversion of inositol 1,2-cyclic phosphate to inositol 1-phosphate, highlighting its role in phospholipid metabolism.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Annexin A3 offers a pathway to novel therapeutic interventions. Its dual role in modulating coagulation and inflammation underscores its potential as a therapeutic target, particularly in diseases where these processes are dysregulated.

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