Focused On-demand Library for ATP-dependent DNA helicase PIF1

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9H611

UPID:

PIF1_HUMAN

Alternative names:

DNA repair and recombination helicase PIF1; PIF1/RRM3 DNA helicase-like protein

Alternative UPACC:

Q9H611; B2RPL7; Q1W5B6; Q330H5; Q33E24

Background:

ATP-dependent DNA helicase PIF1, also known as DNA repair and recombination helicase PIF1 or PIF1/RRM3 DNA helicase-like protein, plays a crucial role in maintaining mitochondrial and nuclear genome stability. It unwinds G-quadruplex DNA structures and forked RNA-DNA hybrids, resolving G4 structures to prevent replication pauses and double-strand breaks at G4 motifs. Additionally, it is involved in telomeric DNA maintenance, inhibiting telomere elongation and telomere addition to DSBs.

Therapeutic significance:

Understanding the role of ATP-dependent DNA helicase PIF1 could open doors to potential therapeutic strategies.