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

Focused On-demand Libraries - Reaxense 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 sreening 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

Reaxense

upacc

P27338

UPID:

AOFB_HUMAN

Alternative names:

Monoamine oxidase type B

Alternative UPACC:

P27338; B2R6R3; B7Z5H3; D3DWC3; Q7Z6S2

Background:

Amine oxidase [flavin-containing] B, also known as Monoamine oxidase type B, plays a crucial role in the oxidative deamination of primary and secondary amines, including neurotransmitters and exogenous amines. This enzyme's activity is pivotal in the metabolism of neuroactive and vasoactive amines in both the central nervous system and peripheral tissues. It shows a preference for degrading benzylamine and phenylethylamine, highlighting its specificity in substrate selection.

Therapeutic significance:

Understanding the role of Amine oxidase [flavin-containing] B could open doors to potential therapeutic strategies. Its involvement in the metabolism of critical neurotransmitters underscores its potential as a target for addressing disorders related to neurotransmitter imbalance.