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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NWU1
UPID:
OXSM_HUMAN
Alternative names:
Beta-ketoacyl-ACP synthase
Alternative UPACC:
Q9NWU1
Background:
The 3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial, also known as Beta-ketoacyl-ACP synthase, plays a crucial role in the biosynthesis of lipoic acid and longer chain fatty acids. These components are essential for optimal mitochondrial function, highlighting the protein's significance in energy metabolism.
Therapeutic significance:
Understanding the role of 3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial could open doors to potential therapeutic strategies. Its involvement in mitochondrial function suggests its potential impact on metabolic disorders.