Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H078
UPID:
CLPB_HUMAN
Alternative names:
Suppressor of potassium transport defect 3
Alternative UPACC:
Q9H078; B4DXJ7; B4DXP7; B4DXW4; E7EWN6; F8W7P6; Q8ND11; Q9H8Y0
Background:
The Mitochondrial disaggregase, also known as Suppressor of potassium transport defect 3, plays a crucial role in cellular homeostasis. It functions as a regulatory ATPase involved in secretion/protein trafficking processes and has ATP-dependent protein disaggregase activity. This protein is essential for maintaining the solubility of key mitochondrial proteins and is involved in mitochondrial-mediated antiviral innate immunity.
Therapeutic significance:
Linked to diseases such as 3-methylglutaconic aciduria 7B and 7A, and severe congenital neutropenia 9, understanding the role of Mitochondrial disaggregase could open doors to potential therapeutic strategies. Its involvement in granulocyte differentiation highlights its potential in treating immune-related disorders.