Focused On-demand Library for ATP-dependent RNA helicase DDX18

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9NVP1

UPID:

DDX18_HUMAN

Alternative names:

DEAD box protein 18; Myc-regulated DEAD box protein

Alternative UPACC:

Q9NVP1; Q6GTZ9; Q6IAU4; Q92732; Q9BQB7

Background:

ATP-dependent RNA helicase DDX18, also known as DEAD box protein 18, plays a crucial role in RNA metabolism, including RNA splicing, ribosome biogenesis, and possibly mRNA decay. As a probable RNA-dependent helicase, it utilizes ATP to unwind RNA structures, facilitating various aspects of RNA processing and function.

Therapeutic significance:

Understanding the role of ATP-dependent RNA helicase DDX18 could open doors to potential therapeutic strategies. Its involvement in fundamental RNA processes positions it as a key target for interventions in diseases where RNA metabolism is disrupted.