Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
O14795
UPID:
UN13B_HUMAN
Alternative names:
Munc13-2
Alternative UPACC:
O14795; Q2NKJ5; Q5VYM8
Background:
Protein unc-13 homolog B, also known as Munc13-2, is pivotal in vesicle maturation during exocytosis, acting as a target for the diacylglycerol second messenger pathway. It plays a crucial role in neurotransmitter release, facilitating synaptic vesicle priming and the refilling of the readily releasable vesicle pool. Munc13-2 is essential for synaptic vesicle maturation in certain excitatory/glutamatergic synapses, working alongside UNC13A to promote neuronal dense core vesicles fusion and optimize synaptic release efficiency.
Therapeutic significance:
Understanding the role of Protein unc-13 homolog B could open doors to potential therapeutic strategies.