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.


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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


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
P16050

UPID:
LOX15_HUMAN

ALTERNATIVE NAMES:
12/15-lipoxygenase; Arachidonate 12-lipoxygenase, leukocyte-type; Arachidonate 15-lipoxygenase; Arachidonate omega-6 lipoxygenase; Hepoxilin A3 synthase Alox15; Linoleate 13S-lipoxygenase

ALTERNATIVE UPACC:
P16050; A8K2P4; B7ZA11; Q8N6R7; Q99657

BACKGROUND:
The enzyme ALOX15, alternatively named Arachidonate 12-lipoxygenase or Linoleate 13S-lipoxygenase, is integral in converting polyunsaturated fatty acids into a variety of bioactive lipid mediators. These mediators, including lipoxins and protectins, play essential roles in inflammation resolution, immune response modulation, and tissue repair. ALOX15's ability to influence the production of specialized pro-resolving mediators (SPMs) and its role in apoptotic cell clearance underscore its significance in maintaining physiological homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of ALOX15 opens up promising avenues for therapeutic intervention. Given its critical role in generating lipid mediators that actively down-regulate immune responses and possess anti-inflammatory properties, targeting ALOX15 could lead to innovative treatments for autoimmune diseases, enhance wound healing, and provide new strategies for managing chronic inflammatory conditions.

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