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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UPW8
UPID:
UN13A_HUMAN
Alternative names:
Munc13-1
Alternative UPACC:
Q9UPW8; E5RHY9
Background:
Protein unc-13 homolog A, also known as Munc13-1, is pivotal in vesicle maturation during exocytosis, targeting the diacylglycerol second messenger pathway. It plays a crucial role in neurotransmitter release, synaptic vesicle priming, and the refilling of the readily releasable vesicle pool, particularly in excitatory/glutamatergic synapses. Munc13-1 is also essential for synaptic vesicle maturation, facilitating neuronal dense core vesicles fusion, and regulating synaptic release efficiency. Additionally, it contributes to dendrite formation by melanocytes.
Therapeutic significance:
Understanding the role of Protein unc-13 homolog A could open doors to potential therapeutic strategies.