Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q16643
UPID:
DREB_HUMAN
Alternative names:
Developmentally-regulated brain protein
Alternative UPACC:
Q16643; A8MV58; B2RBG0; Q9UFZ5
Background:
Drebrin, a developmentally-regulated brain protein, is pivotal in actin cytoskeleton organization, aiding in cell projection formation and actin polymerization at immunological synapses. It is instrumental in dendritic spine morphogenesis, synaptic plasticity in the hippocampus, and the localization of key receptors such as CXCR4 and DRD1.
Therapeutic significance:
Given its crucial role in synaptic plasticity and association with Alzheimer disease, where it is implicated in the pathogenesis through decreased expression and absence from dystrophic neurites, Drebrin represents a promising target for therapeutic intervention in neurodegenerative disorders.