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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BYC2
UPID:
SCOT2_HUMAN
Alternative names:
3-oxoacid CoA-transferase 2A; Testis-specific succinyl-CoA:3-oxoacid CoA-transferase
Alternative UPACC:
Q9BYC2; B2RBB4; Q5QPK4; Q8NHR1; Q9H1I4
Background:
Succinyl-CoA:3-ketoacid coenzyme A transferase 2, mitochondrial, also known as 3-oxoacid CoA-transferase 2A and Testis-specific succinyl-CoA:3-oxoacid CoA-transferase, plays a pivotal role in ketone body catabolism. It facilitates the transfer of the CoA moiety from succinate to acetoacetate, a critical step in the metabolic process. The enzyme operates through an intermediate anhydride species, highlighting a sophisticated mechanism of action.
Therapeutic significance:
Understanding the role of Succinyl-CoA:3-ketoacid coenzyme A transferase 2, mitochondrial could open doors to potential therapeutic strategies.