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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P22079
UPID:
PERL_HUMAN
Alternative names:
Salivary peroxidase
Alternative UPACC:
P22079; A5JUY4; E7EMJ3; Q13408; Q3KNQ2
Background:
Lactoperoxidase, also known as Salivary peroxidase, is a heme-containing oxidoreductase pivotal in the body's defense mechanism. It catalyzes the conversion of thiocyanate and iodide into antimicrobial agents in the presence of hydrogen peroxide. This enzyme is present in mammary and salivary gland secretions, playing a crucial role in airway host defense against infections by inactivating a wide range of micro-organisms, including Pseudomonas aeruginosa.
Therapeutic significance:
Understanding the role of Lactoperoxidase could open doors to potential therapeutic strategies. Its ability to maintain appropriate cellular levels of hydrogen peroxide and protect cells from hydrogen peroxide-caused injuries and inflammation highlights its potential in therapeutic applications aimed at enhancing host defense mechanisms.