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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P18206
UPID:
VINC_HUMAN
Alternative names:
Metavinculin
Alternative UPACC:
P18206; Q16450; Q5SWX2; Q7Z3B8; Q8IXU7
Background:
Vinculin, also known as Metavinculin, is a crucial actin filament-binding protein that plays a significant role in cell-matrix adhesion and cell-cell adhesion. It is instrumental in regulating cell-surface E-cadherin expression and enhancing mechanosensing by the E-cadherin complex, which are vital for cell morphology and locomotion.
Therapeutic significance:
Vinculin's involvement in diseases such as Cardiomyopathy, dilated, 1W, and Cardiomyopathy, familial hypertrophic, 15, highlights its potential as a target for therapeutic intervention. Understanding the role of Vinculin could open doors to potential therapeutic strategies.