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.
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 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
Q99758
UPID:
ABCA3_HUMAN
Alternative names:
ABC-C transporter; ATP-binding cassette sub-family A member 3; ATP-binding cassette transporter 3; Xenobiotic-transporting ATPase ABCA3
Alternative UPACC:
Q99758; B2RU09; Q54A95; Q6P5P9; Q92473
Background:
Phospholipid-transporting ATPase ABCA3, also known as ABC-C transporter, plays a crucial role in the transport of phospholipids into lamellar bodies, essential for pulmonary surfactant homeostasis. It preferentially transports phosphatidylcholine with short acyl chains and acts as an efflux transporter for miltefosine and free cholesterol, safeguarding cells from toxicity.
Therapeutic significance:
The protein's malfunction is linked to Pulmonary surfactant metabolism dysfunction 3, a rare lung disorder characterized by severe respiratory distress due to alveolar filling with excessive lipoproteins. Understanding the role of Phospholipid-transporting ATPase ABCA3 could open doors to potential therapeutic strategies for this condition.