Focused On-demand Library for Disintegrin and metalloproteinase domain-containing protein 10

Details

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 use our state-of-the-art dedicated workflow for designing 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 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
O14672

UPID:
ADA10_HUMAN

ALTERNATIVE NAMES:
CDw156; Kuzbanian protein homolog; Mammalian disintegrin-metalloprotease

ALTERNATIVE UPACC:
O14672; B4DU28; Q10742; Q92650

BACKGROUND:
The enzyme Disintegrin and metalloproteinase domain-containing protein 10, known for its alternative names CDw156 and Kuzbanian protein homolog, is integral to the regulation of cell surface interactions and signaling pathways. By facilitating the cleavage of numerous membrane proteins, ADAM10 influences key physiological processes, including neurogenesis, immune response, and tissue remodeling. Its ability to process both amyloid precursor protein and Notch underscores its significance in cellular communication and pathology.

THERAPEUTIC SIGNIFICANCE:
Given ADAM10's involvement in the pathogenesis of Alzheimer disease 18 and its association with Reticulate acropigmentation of Kitamura, targeting this proteinase offers a promising strategy for therapeutic intervention. The enzyme's role in amyloid plaque formation and skin pigmentation disorders positions it as a critical target for drug discovery efforts aimed at mitigating these diseases' progression. Harnessing insights into ADAM10's functions could pave the way for breakthrough treatments.

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