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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P01019
UPID:
ANGT_HUMAN
Alternative names:
Serpin A8
Alternative UPACC:
P01019; Q16358; Q16359; Q96F91
Background:
Angiotensinogen, also known as Serpin A8, plays a pivotal role in the renin-angiotensin system (RAS), crucial for regulating blood pressure, fluid, and electrolyte balance. It acts as a potent vasoconstrictor, influences cardiac function, and stimulates aldosterone secretion, impacting renal sodium and water absorption.
Therapeutic significance:
Angiotensinogen's involvement in essential hypertension and renal tubular dysgenesis highlights its therapeutic potential. Targeting angiotensinogen could lead to innovative treatments for these conditions, emphasizing the importance of understanding its biological mechanisms.