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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P15498
UPID:
VAV_HUMAN
Alternative names:
-
Alternative UPACC:
P15498; B4DVK9; M0QXX6; Q15860
Background:
Proto-oncogene vav plays a pivotal role in cellular signaling, acting as a bridge that connects tyrosine kinase signals to the activation of Rho/Rac GTPases. This process is crucial for cell differentiation and proliferation, highlighting the protein's significance in cellular function and development.
Therapeutic significance:
Understanding the role of Proto-oncogene vav could open doors to potential therapeutic strategies. Its central role in cell signaling pathways offers a promising avenue for targeted interventions in diseases where these pathways are dysregulated.