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.
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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P37023
UPID:
ACVL1_HUMAN
Alternative names:
Activin receptor-like kinase 1; TGF-B superfamily receptor type I
Alternative UPACC:
P37023; A6NGA8
Background:
Serine/threonine-protein kinase receptor R3, also known as Activin receptor-like kinase 1 and part of the TGF-B superfamily receptor type I, plays a pivotal role in blood vessel development. It acts as a Type I receptor for TGF-beta family ligands BMP9/GDF2 and BMP10, crucial for regulating vascular integrity and function.
Therapeutic significance:
Linked to Telangiectasia, hereditary hemorrhagic, 2, a vascular dysplasia causing blood vessel dilation and arteriovenous malformations, this protein's understanding could lead to novel therapeutic strategies for managing vascular anomalies and preventing hemorrhagic events.