Focused On-demand Library for Protrudin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

Q5T4F4

UPID:

ZFY27_HUMAN

Alternative names:

Spastic paraplegia 33 protein; Zinc finger FYVE domain-containing protein 27

Alternative UPACC:

Q5T4F4; B7Z3S0; B7Z404; B7Z626; G8JLC3; G8JLF0; J3KP98; Q5T4F1; Q5T4F2; Q5T4F3; Q8N1K0; Q8N6D6; Q8NCA0; Q8NDE4; Q96M08

Background:

Protrudin, known as Spastic paraplegia 33 protein and Zinc finger FYVE domain-containing protein 27, plays a pivotal role in RAB11-dependent vesicular trafficking, axonal elongation, and neuronal cell polarity. It is crucial for nerve growth factor-induced neurite formation and ER morphogenesis, balancing sheet-to-tubule transitions and tubule interconnections density.

Therapeutic significance:

Linked to Spastic paraplegia 33, autosomal dominant, Protrudin's involvement in neurodegenerative disorders highlights its potential as a target for therapeutic intervention. Understanding Protrudin's functions could pave the way for novel treatments for spastic paraplegia and related conditions.