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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8IU80
UPID:
TMPS6_HUMAN
Alternative names:
Matriptase-2
Alternative UPACC:
Q8IU80; B0QYB4; B0QYB7; B0QYB8; Q5TI06; Q6ICC2; Q6UXD8; Q8IUE2; Q8IXV8
Background:
Transmembrane protease serine 6, also known as Matriptase-2, plays a crucial role in iron homeostasis. It regulates iron absorption by cleaving cell surface HJV, thereby influencing the expression of hepcidin, the hormone responsible for iron regulation.
Therapeutic significance:
Mutations in Transmembrane protease serine 6 lead to Iron-refractory iron deficiency anemia (IRIDA), characterized by abnormal iron absorption and utilization. Targeting this protein could offer new treatments for IRIDA by modulating hepcidin levels.