Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H222
UPID:
ABCG5_HUMAN
Alternative names:
Sterolin-1
Alternative UPACC:
Q9H222; Q2T9G2; Q96QZ2; Q96QZ3
Background:
ATP-binding cassette sub-family G member 5, also known as Sterolin-1, plays a pivotal role in cholesterol and sterol homeostasis. It forms an obligate heterodimer with ABCG8, facilitating Mg(2+)- and ATP-dependent sterol transport across cell membranes. This process is crucial for the regulation of dietary plant sterols and cholesterol absorption by enterocytes and their excretion by the liver into bile.
Therapeutic significance:
Sitosterolemia 2, a metabolic disorder characterized by hypercholesterolemia and premature coronary artery disease, is linked to variants affecting Sterolin-1. Understanding the role of Sterolin-1 could lead to novel therapeutic strategies targeting cholesterol and sterol metabolism disorders.