Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 high-tech, dedicated method is applied to construct targeted 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P09172
UPID:
DOPO_HUMAN
Alternative names:
Dopamine beta-monooxygenase
Alternative UPACC:
P09172; Q5T381; Q96AG2
Background:
Dopamine beta-hydroxylase, also known as Dopamine beta-monooxygenase, plays a crucial role in the conversion of dopamine to noradrenaline, a key neurotransmitter involved in regulating various physiological functions. This enzyme's activity is essential for maintaining the balance of neurotransmitters in the nervous system.
Therapeutic significance:
Orthostatic hypotension 1, a condition linked to congenital dopamine beta-hydroxylase deficiency, highlights the enzyme's critical role in cardiovascular health. Understanding the role of Dopamine beta-hydroxylase could open doors to potential therapeutic strategies for managing symptoms associated with this autosomal recessive condition.