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.
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.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q5TCQ9
UPID:
MAGI3_HUMAN
Alternative names:
Membrane-associated guanylate kinase inverted 3
Alternative UPACC:
Q5TCQ9; A0A024R0E9; A0A024R0H3; Q5TCQ8; Q5TCR0; Q9H2V6; Q9H5Y8; Q9HBC4; Q9HCD8
Background:
Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3) acts as a pivotal scaffolding protein at cell-cell junctions, influencing various cellular and signaling processes. It modulates AKT1 kinase activity through cooperation with PTEN and links receptor tyrosine phosphatase PTPRB with its substrates. In epithelial cells, MAGI3 is crucial for TGFA trafficking and enhances LPAR2's ability to activate ERK and RhoA pathways. It also plays a role in the JNK signaling cascade via interaction with FZD4 and VANGL2.
Therapeutic significance:
Understanding the role of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 could open doors to potential therapeutic strategies.