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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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
P55042
UPID:
RAD_HUMAN
Alternative names:
RAD1; Ras associated with diabetes
Alternative UPACC:
P55042; Q96F39
Background:
GTP-binding protein RAD, also known as RAD1 and Ras associated with diabetes, plays a crucial role in cardiac physiology. It regulates basal voltage-dependent L-type Ca(2+) currents, essential for heart rate and contractile force. Additionally, it suppresses voltage-gated L-type Ca(2+) currents, aiding in cardiac antiarrhythmia, and controls calcium channel trafficking, crucial for cardiac function. Its inhibition of cardiac hypertrophy through the CaMKII pathway highlights its protective role against cardiac enlargement.
Therapeutic significance:
Understanding the role of GTP-binding protein RAD could open doors to potential therapeutic strategies, particularly in cardiac arrhythmias and hypertrophy, offering new avenues for treating heart diseases.