Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96NT0
UPID:
CC115_HUMAN
Alternative names:
-
Alternative UPACC:
Q96NT0; B4DJ47; Q9BR88
Background:
Coiled-coil domain-containing protein 115 plays a pivotal role in intracellular processes, including iron homeostasis and endolysosomal acidification. It is an accessory component of the V-ATPase pump, crucial for cellular functions under aerobic conditions and lysosomal degradation.
Therapeutic significance:
Linked to Congenital disorder of glycosylation 2O, characterized by severe multisystem disorders, the study of Coiled-coil domain-containing protein 115 could unveil novel therapeutic avenues.