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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
Q9Y5R2

UPID:
MMP24_HUMAN

ALTERNATIVE NAMES:
Membrane-type matrix metalloproteinase 5; Membrane-type-5 matrix metalloproteinase

ALTERNATIVE UPACC:
Q9Y5R2; B7ZBG8; Q9H440

BACKGROUND:
Membrane-type-5 matrix metalloproteinase, known as Matrix metalloproteinase-24, is a key regulator in the cleavage of N-cadherin, affecting neuro-immune interactions, neural stem cell anchorage, and quiescence. It contributes to peripheral thermal nociception, inflammatory hyperalgesia, and plays a role in axonal growth and the activation of progelatinase A, highlighting its significance in neural and immune system functions.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Matrix metalloproteinase-24 offers promising avenues for the development of novel therapeutic interventions.

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