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.
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 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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P21439
UPID:
MDR3_HUMAN
Alternative names:
ATP-binding cassette sub-family B member 4; Multidrug resistance protein 3; P-glycoprotein 3
Alternative UPACC:
P21439; A0A2V7; A4D1D3; A4D1D4; A4D1D5; D6W5P3; D6W5P4; Q14813
Background:
Phosphatidylcholine translocator ABCB4, also known as ATP-binding cassette sub-family B member 4, plays a crucial role in biliary lipid secretion. It functions as a floppase, translocating phosphatidylcholine across the canalicular membrane, thereby facilitating bile formation and protecting the biliary tree from bile salts.
Therapeutic significance:
ABCB4 is implicated in several liver diseases, including progressive familial intrahepatic cholestasis type 3 and intrahepatic cholestasis of pregnancy. Its role in these conditions highlights its potential as a target for therapeutic intervention to alleviate cholestasis and improve liver function.