Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P23677
UPID:
IP3KA_HUMAN
Alternative names:
Inositol 1,4,5-trisphosphate 3-kinase A
Alternative UPACC:
P23677; Q8TAN3
Background:
Inositol-trisphosphate 3-kinase A, alternatively known as Inositol 1,4,5-trisphosphate 3-kinase A, plays a pivotal role in cellular processes by catalyzing the phosphorylation of 1D-myo-inositol 1,4,5-trisphosphate into 1D-myo-inositol 1,3,4,5-tetrakisphosphate. This enzymatic activity is crucial for the regulation of calcium homeostasis, impacting various cellular functions.
Therapeutic significance:
Understanding the role of Inositol-trisphosphate 3-kinase A could open doors to potential therapeutic strategies. Its involvement in calcium homeostasis regulation highlights its potential as a target for therapeutic intervention in diseases where calcium signaling is disrupted.