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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P22033
UPID:
MUTA_HUMAN
Alternative names:
Methylmalonyl-CoA isomerase
Alternative UPACC:
P22033; A8K953; Q5SYZ3; Q96B11; Q9UD64
Background:
Methylmalonyl-CoA mutase, mitochondrial, also known as Methylmalonyl-CoA isomerase, plays a pivotal role in the metabolism of certain amino acids and fatty acids. It catalyzes the conversion of methylmalonyl-CoA to succinyl-CoA, a crucial step in the tricarboxylic acid cycle.
Therapeutic significance:
The protein is linked to Methylmalonic aciduria due to methylmalonyl-CoA mutase deficiency, a disorder characterized by lethargy, vomiting, and severe neurological issues. Understanding the role of Methylmalonyl-CoA mutase could open doors to potential therapeutic strategies.