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.
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 our associate 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 sreening 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 distinguishes itself through several key 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.