Focused On-demand Library for Probable ATP-dependent RNA helicase DDX31

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q9H8H2

UPID:

DDX31_HUMAN

Alternative names:

DEAD box protein 31; Helicain

Alternative UPACC:

Q9H8H2; Q5K6N2; Q5K6N3; Q5K6N4; Q5VZJ4; Q5VZJ9; Q96E91; Q96NY2; Q96SX5; Q9H5K6

Background:

The Probable ATP-dependent RNA helicase DDX31, also known as DEAD box protein 31 and Helicain, plays a crucial role in ribosome biogenesis and the regulation of TP53/p53 through its interaction with NPM1. This protein's involvement in critical cellular processes highlights its importance in maintaining cellular function and integrity.

Therapeutic significance:

Understanding the role of Probable ATP-dependent RNA helicase DDX31 could open doors to potential therapeutic strategies. Its pivotal role in ribosome biogenesis and TP53/p53 regulation makes it a promising target for drug discovery, aiming to harness its functions for therapeutic benefits.