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.
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.
We employ our advanced, specialised process to create targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8IVS2
UPID:
FABD_HUMAN
Alternative names:
Mitochondrial malonyl CoA:ACP acyltransferase; Mitochondrial malonyltransferase; [Acyl-carrier-protein] malonyltransferase
Alternative UPACC:
Q8IVS2; B0QY72; O95510; O95511
Background:
Malonyl-CoA-acyl carrier protein transacylase, mitochondrial, also known as Mitochondrial malonyltransferase, plays a crucial role in the biosynthesis of fatty acids within mitochondria. It catalyzes the transfer of a malonyl moiety from malonyl-CoA to the phosphopantetheine arm of mitochondrial ACP protein (NDUFAB1), indicating an essential process for cellular energy and lipid metabolism.
Therapeutic significance:
Understanding the role of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial could open doors to potential therapeutic strategies.