Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P17600
UPID:
SYN1_HUMAN
Alternative names:
Brain protein 4.1; Synapsin I
Alternative UPACC:
P17600; B1AJQ1; O75825; Q5H9A9
Background:
Synapsin-1, also known as Brain protein 4.1 and Synapsin I, is a neuronal phosphoprotein that plays a crucial role in synaptic vesicle trafficking. It regulates neurotransmitter release at the pre-synaptic terminal and is involved in axon outgrowth and synaptogenesis. The protein forms a complex with NOS1 and CAPON, essential for specific nitric-oxide functions at a presynaptic level.
Therapeutic significance:
Synapsin-1 is linked to neurological disorders such as Epilepsy, X-linked 1, with variable learning disabilities and behavior disorders, and Intellectual developmental disorder, X-linked 50. Understanding the role of Synapsin-1 could open doors to potential therapeutic strategies for these conditions.