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.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P22830
UPID:
HEMH_HUMAN
Alternative names:
Heme synthase; Protoheme ferro-lyase
Alternative UPACC:
P22830; A8KA72; Q8IXN1; Q8NAN0
Background:
Ferrochelatase, mitochondrial, also known as heme synthase or protoheme ferro-lyase, plays a pivotal role in heme biosynthesis by catalyzing the insertion of ferrous iron into protoporphyrin IX. This enzyme's activity is crucial for the proper functioning of various biological systems, given heme's central role in oxygen transport, energy production, and detoxification processes.
Therapeutic significance:
The enzyme's deficiency is linked to Protoporphyria, erythropoietic, 1, an autosomal recessive disorder characterized by photosensitive skin changes and excessive protoporphyrin accumulation. Understanding the role of Ferrochelatase, mitochondrial, could open doors to potential therapeutic strategies for managing this porphyria form and improving patient quality of life.