Focused On-demand Library for Rab effector Noc2

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 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Q9UNE2

UPID:

RPH3L_HUMAN

Alternative names:

No C2 domains protein; Rabphilin-3A-like protein

Alternative UPACC:

Q9UNE2; D3DTG7; Q9BSB3

Background:

Rab effector Noc2, also known as No C2 domains protein and Rabphilin-3A-like protein, plays a crucial role in the late steps of regulated exocytosis in both endocrine and exocrine cells. This protein, identified by the UniProt accession number Q9UNE2, acts as a potential RAB3B effector in epithelial cells, indicating its pivotal role in cellular secretion processes.

Therapeutic significance:

Understanding the role of Rab effector Noc2 could open doors to potential therapeutic strategies. Its involvement in the regulated exocytosis process highlights its importance in cellular communication and secretion, making it a target of interest in the development of treatments for diseases related to these biological processes.