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.
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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P04040
UPID:
CATA_HUMAN
Alternative names:
-
Alternative UPACC:
P04040; A8K6C0; B2RCZ9; D3DR07; Q2M1U4; Q4VXX5; Q9BWT9; Q9UC85
Background:
Catalase, encoded by the gene with accession number P04040, plays a crucial role in cellular defense mechanisms. It catalyzes the decomposition of hydrogen peroxide, a potentially harmful byproduct of cellular metabolism, into water and oxygen. This action is vital for protecting cells from oxidative damage. Catalase's activity is pivotal in various cell types, including T-cells, B-cells, and fibroblast cells, highlighting its broad significance in cell growth and survival.
Therapeutic significance:
The association of Catalase with Acatalasemia, a metabolic disorder characterized by the near absence of catalase activity, underscores its therapeutic potential. Understanding the role of Catalase could open doors to potential therapeutic strategies for treating or managing Acatalasemia and possibly other oxidative stress-related conditions.