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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8NFZ4
UPID:
NLGN2_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NFZ4; Q9P2I1
Background:
Neuroligin-2, a transmembrane scaffolding protein, plays a pivotal role in cell-cell interactions and synaptic function. It facilitates synapse formation and signal transmission, particularly through GABA(A) receptors, by clustering synaptic proteins. This protein is crucial in balancing excitatory and inhibitory synaptic signaling, impacting information processing and insulin secretion in Langerhans beta cells.
Therapeutic significance:
Understanding the role of Neuroligin-2 could open doors to potential therapeutic strategies.