Focused On-demand Library for Synaptojanin-1

Focused On-demand Libraries - Reaxense Collaboration

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 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 top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O43426

UPID:

SYNJ1_HUMAN

Alternative names:

Synaptic inositol 1,4,5-trisphosphate 5-phosphatase 1

Alternative UPACC:

O43426; O43425; O94984; Q4KMR1

Background:

Synaptojanin-1, alternatively known as Synaptic inositol 1,4,5-trisphosphate 5-phosphatase 1, plays a pivotal role in phosphoinositide metabolism, crucial for clathrin-mediated endocytosis and actin filament rearrangement. This protein's enzymatic activity influences various cellular processes by hydrolyzing phosphoinositides, including PIP2, which is bound to actin regulatory proteins.

Therapeutic significance:

Synaptojanin-1 is implicated in the pathogenesis of Parkinson disease 20, an early-onset neurodegenerative disorder, and Developmental and epileptic encephalopathy 53, characterized by severe early-onset epilepsies. Understanding the role of Synaptojanin-1 in these diseases could open doors to potential therapeutic strategies, highlighting its importance in neurodegenerative and neurodevelopmental disorders.