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.
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 our partner 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P37840
UPID:
SYUA_HUMAN
Alternative names:
Non-A beta component of AD amyloid; Non-A4 component of amyloid precursor
Alternative UPACC:
P37840; A8K2A4; Q13701; Q4JHI3; Q6IAU6
Background:
Alpha-synuclein, known also as Non-A beta component of AD amyloid or Non-A4 component of amyloid precursor, plays pivotal roles in synaptic activity. It regulates synaptic vesicle trafficking, neurotransmitter release, and acts as a molecular chaperone for SNAREs, crucial for synaptic fusion. Additionally, it modulates dopamine neurotransmission, associating with the dopamine transporter.
Therapeutic significance:
Alpha-synuclein's malfunction is linked to neurodegenerative disorders such as Parkinson disease 1 and 4, and Dementia with Lewy bodies. These associations highlight its critical role in the pathology of these diseases, suggesting that targeting alpha-synuclein could offer novel therapeutic avenues for treating such debilitating conditions.