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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9Y4D7
UPID:
PLXD1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9Y4D7; A7E2C6; C9JPZ6; Q6PJS9; Q8IZJ2; Q9BTQ2
Background:
Plexin-D1, a pivotal cell surface receptor, interacts with SEMA4A and class 3 semaphorins like SEMA3A, SEMA3C, and SEMA3E. It plays a crucial role in cell-cell signaling and regulates the migration of various cell types, including thymocytes and endothelial cells. Its significance extends to synapse formation specificity and the development of the heart and vasculature.
Therapeutic significance:
Plexin-D1's involvement in Congenital heart defects, multiple types, 9, underscores its potential as a therapeutic target. Understanding its role could lead to novel interventions for heart and vascular anomalies.