Focused On-demand Library for Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN

Focused On-demand Libraries - Reaxense Collaboration

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.