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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 stands out due to several important features:
partner
Reaxense
upacc
Q96T53
UPID:
MBOA4_HUMAN
Alternative names:
Membrane-bound O-acyltransferase domain-containing protein 4
Alternative UPACC:
Q96T53; B1Q003
Background:
Ghrelin O-acyltransferase, also known as Membrane-bound O-acyltransferase domain-containing protein 4, plays a crucial role in catalyzing ghrelin acylation at 'Ser-3'. This process primarily utilizes octanoyl-CoA, hexanoyl-CoA, and decanoyl-CoA as acyl-CoA donors, significantly contributing to ghrelin activity. The enzyme's efficiency varies with the length of acyl-CoA donors, showing a preference for medium-chain lengths from C4 to C12 over longer chains.
Therapeutic significance:
Understanding the role of Ghrelin O-acyltransferase could open doors to potential therapeutic strategies.