Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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
P60484
UPID:
PTEN_HUMAN
Alternative names:
Mutated in multiple advanced cancers 1; Phosphatase and tensin homolog
Alternative UPACC:
P60484; B2R904; F2YHV0; O00633; O02679; Q6ICT7
Background:
Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase, known as PTEN, plays a pivotal role in cellular processes by dephosphorylating phosphoinositides and proteins. It acts as a tumor suppressor, modulating cell cycle progression, cell survival, and migration. PTEN's involvement in the PI3K-AKT signaling pathway and its impact on mitochondrial metabolism underscore its critical biological functions.
Therapeutic significance:
PTEN's mutation or dysfunction is linked to various diseases, including Cowden syndrome, Lhermitte-Duclos disease, and several cancers such as endometrial, prostate, and glioma. Understanding PTEN's role could open doors to potential therapeutic strategies, particularly in targeting the PI3K-AKT pathway for cancer treatment and managing hamartomatous syndromes.