Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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 high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library stands out due to several important features:
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.