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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q14573
UPID:
ITPR3_HUMAN
Alternative names:
IP3 receptor isoform 3; Type 3 inositol 1,4,5-trisphosphate receptor
Alternative UPACC:
Q14573; Q14649; Q5TAQ2
Background:
The Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) plays a pivotal role in intracellular calcium signaling, a crucial process for numerous cellular functions. This receptor, by mediating calcium release, is involved in cellular processes such as muscle contraction, cell growth, and apoptosis.
Therapeutic significance:
The receptor's link to Charcot-Marie-Tooth disease, demyelinating, 1J, underscores its therapeutic potential. Targeting this receptor could lead to innovative treatments for this debilitating peripheral nervous system disorder, characterized by muscle weakness and atrophy.