Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q12887
UPID:
COX10_HUMAN
Alternative names:
Heme O synthase
Alternative UPACC:
Q12887; B2R6U5; B4DJ50; O15334; Q969F7
Background:
Protoheme IX farnesyltransferase, also known as Heme O synthase, plays a crucial role in mitochondrial function by converting protoheme IX and farnesyl diphosphate to heme O. This enzyme is pivotal for cellular energy production, highlighting its significance in mitochondrial biochemistry.
Therapeutic significance:
The enzyme's link to Mitochondrial complex IV deficiency, nuclear type 3, a disorder marked by muscle weakness, hypotonia, and cardiomyopathy, underscores its therapeutic potential. Targeting Protoheme IX farnesyltransferase could lead to novel treatments for mitochondrial disorders.