Focused On-demand Library for Amine oxidase [flavin-containing] A

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
P21397

UPID:
AOFA_HUMAN

ALTERNATIVE NAMES:
Monoamine oxidase type A

ALTERNATIVE UPACC:
P21397; B4DF46; Q16426

BACKGROUND:
Amine oxidase [flavin-containing] A, known for its critical functions in neurotransmitter metabolism, is essential for the oxidative deamination of neuroactive and vasoactive amines. This process is crucial for maintaining the balance of neurotransmitters, such as serotonin, in the brain and peripheral tissues. The enzyme's activity results in the production of hydrogen peroxide from oxygen, highlighting its role in cellular processes.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Brunner syndrome, an X-linked intellectual disability with behavioral implications, Amine oxidase [flavin-containing] A represents a key target for therapeutic intervention. The enzyme's role in serotonin metabolism makes it a compelling candidate for developing treatments aimed at mood disorders and behavioral conditions, offering hope for advancements in mental health therapies.

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