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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We employ our advanced, specialised process to create 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
Q96PH1
UPID:
NOX5_HUMAN
Alternative names:
-
Alternative UPACC:
Q96PH1; B2RBJ4; Q08AN2; Q08AN3; Q8TEQ1; Q8TER4; Q96PH2; Q96PJ8; Q96PJ9; Q9H6E0; Q9HAM8
Background:
NADPH oxidase 5 plays a pivotal role in cellular processes by generating superoxide through calcium-dependent mechanisms. It functions not only as a NADPH oxidase but also as a proton channel, influencing redox-dependent activities in lymphocytes and spermatozoa. This protein is crucial for cell growth and apoptosis, with specific isoforms contributing to endothelial reactive oxygen species (ROS) production, proliferation, and angiogenesis.
Therapeutic significance:
Understanding the role of NADPH oxidase 5 could open doors to potential therapeutic strategies.