Focused On-demand Library for 14-3-3 protein gamma

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.

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.

Our top-notch dedicated system is used to design specialised libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the target protein, both isolated and in complex with key partner proteins, complemented by ensemble virtual screening that accounts for conformational mobility in the unbound and complex states. The tentative binding sites are explored on the protein-protein interaction interface and at remote allosteric locations, encompassing the entire spectrum of potential mechanisms of action.

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

P61981

UPID:

1433G_HUMAN

Alternative names:

Protein kinase C inhibitor protein 1

Alternative UPACC:

P61981; O70457; P35214; Q6FH52; Q9UDP2; Q9UN99

Background:

The 14-3-3 protein gamma, also known as Protein kinase C inhibitor protein 1, plays a pivotal role in regulating a broad spectrum of signaling pathways. It achieves this by binding to numerous partners through recognition of phosphoserine or phosphothreonine motifs, thereby modulating their activity.

Therapeutic significance:

The protein is linked to Developmental and epileptic encephalopathy 56 (DEE56), a severe early-onset epilepsy with neurodevelopmental impairment. Understanding the role of 14-3-3 protein gamma could open doors to potential therapeutic strategies for this condition.