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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9Y217
UPID:
MTMR6_HUMAN
Alternative names:
Phosphatidylinositol-3,5-bisphosphate 3-phosphatase; Phosphatidylinositol-3-phosphate phosphatase
Alternative UPACC:
Q9Y217; B2RBB5; B3KSB4; Q5JRG6; Q86TB7; Q86YH4; Q96P80
Background:
Myotubularin-related protein 6, known for its alternative names such as Phosphatidylinositol-3,5-bisphosphate 3-phosphatase and Phosphatidylinositol-3-phosphate phosphatase, plays a pivotal role in lipid phosphatase activity. It specifically acts on lipids with a phosphoinositol headgroup, dephosphorylating key phosphatidylinositols and binding with high affinity to various phosphatidylinositols. This protein is instrumental in regulating ER-Golgi protein transport, macropinocytosis, and T-cell activity, alongside its involvement in DNA damage-induced apoptosis in complex with MTMR9.
Therapeutic significance:
Understanding the role of Myotubularin-related protein 6 could open doors to potential therapeutic strategies.