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.
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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P23975
UPID:
SC6A2_HUMAN
Alternative names:
Norepinephrine transporter; Solute carrier family 6 member 2
Alternative UPACC:
P23975; B2R707; B4DX48; Q96KH8
Background:
The Sodium-dependent noradrenaline transporter, also known as the Norepinephrine transporter and Solute carrier family 6 member 2, plays a crucial role in the reuptake of norepinephrine and dopamine from the synaptic cleft. This process is vital for the modulation of norepinephrine signaling, affecting mood, attention, and stress responses.
Therapeutic significance:
Linked to Orthostatic intolerance, a condition marked by lightheadedness and fatigue due to elevated plasma norepinephrine, this transporter's dysfunction highlights its potential as a therapeutic target. Understanding its role could pave the way for innovative treatments for related cardiovascular and neuropsychiatric disorders.