Focused On-demand Library for Single-stranded DNA-binding protein, mitochondrial

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.

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 use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

Q04837

UPID:

SSBP_HUMAN

Alternative names:

PWP1-interacting protein 17

Alternative UPACC:

Q04837

Background:

The Single-stranded DNA-binding protein, mitochondrial, also known as PWP1-interacting protein 17, plays a pivotal role in mitochondrial DNA (mtDNA) replication and repair. It binds preferentially to pyrimidine-rich single-stranded DNA, maintaining mtDNA copy number and stimulating the activity of replisome components POLG and TWNK. This protein is essential for organizing template DNA and promoting ss-DNA conformations that facilitate POLG activity, as well as enhancing the unwinding activity of mtDNA helicase TWNK.

Therapeutic significance:

Given its crucial role in mtDNA replication and repair, understanding the Single-stranded DNA-binding protein, mitochondrial, could open doors to potential therapeutic strategies for diseases like Optic atrophy 13 with retinal and foveal abnormalities, where it has been implicated.