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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y697
UPID:
NFS1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9Y697; B3KMA5; B4DXK9; E1P5R8; F5GYK5; Q6P0L8; Q9NTZ5; Q9Y481
Background:
Cysteine desulfurase plays a pivotal role in mitochondrial function by catalyzing the desulfuration of L-cysteine to L-alanine. This process is crucial for the assembly of iron-sulfur clusters, which are essential components of various mitochondrial enzymes involved in energy production. The protein's activity facilitates the formation of a cysteine persulfide intermediate, further advancing the synthesis of [2Fe-2S] clusters, a foundational step in mitochondrial iron-sulfur protein biogenesis.
Therapeutic significance:
The association of cysteine desulfurase with Combined oxidative phosphorylation deficiency 52, a mitochondrial disorder characterized by lactic acidemia and multisystem organ failure, underscores its therapeutic potential. Targeting the protein's function could lead to novel treatments for this and related mitochondrial diseases, offering hope for patients suffering from these challenging conditions.