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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9NPH2
UPID:
INO1_HUMAN
Alternative names:
Myo-inositol 1-phosphate synthase; Myo-inositol 1-phosphate synthase A1
Alternative UPACC:
Q9NPH2; B3KRT1; G5E9U0; Q6NXT5; Q7Z525; Q9BT65; Q9H2Y2; Q9NSU0; Q9NVW7
Background:
Inositol-3-phosphate synthase 1, also known as Myo-inositol 1-phosphate synthase, plays a pivotal role in the myo-inositol biosynthesis pathway. It is the enzyme responsible for converting glucose 6-phosphate to 1-myo-inositol 1-phosphate in a NAD-dependent manner, serving as the rate-limiting step in the synthesis of all inositol-containing compounds.
Therapeutic significance:
Understanding the role of Inositol-3-phosphate synthase 1 could open doors to potential therapeutic strategies.