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.
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.
We employ our advanced, specialised process to create 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8IZD9
UPID:
DOCK3_HUMAN
Alternative names:
Modifier of cell adhesion; Presenilin-binding protein
Alternative UPACC:
Q8IZD9; O15017
Background:
Dedicator of cytokinesis protein 3, also known as Modifier of cell adhesion and Presenilin-binding protein, plays a crucial role in cellular processes. It acts as a potential guanine nucleotide exchange factor (GEF), which is pivotal in activating small GTPases by exchanging GDP for GTP. Its interaction with presenilin proteins and ability to stimulate Tau/MAPT phosphorylation highlight its involvement in Alzheimer's disease. Moreover, its role in decreasing amyloid-beta APBA1 protein secretion and cell-substratum adhesion suggests its impact on actin cytoskeleton regulation or cell adhesion receptors.
Therapeutic significance:
The protein's association with neurodevelopmental disorder with impaired intellectual development, hypotonia, and ataxia underscores its therapeutic significance. Understanding the role of Dedicator of cytokinesis protein 3 could open doors to potential therapeutic strategies for this disorder and Alzheimer's disease.