Focused On-demand Library for Nucleolar RNA helicase 2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
Q9NR30

UPID:
DDX21_HUMAN

ALTERNATIVE NAMES:
DEAD box protein 21; Gu-alpha; Nucleolar RNA helicase Gu; Nucleolar RNA helicase II; RH II/Gu

ALTERNATIVE UPACC:
Q9NR30; B2RDL0; Q13436; Q5VX41; Q68D35

BACKGROUND:
The multifunctional Nucleolar RNA helicase 2, known under aliases such as Gu-alpha and RH II/Gu, is integral to RNA processing and genomic stability. It binds rRNAs and snoRNAs in the nucleolus, enhancing rRNA transcription and processing. In the nucleoplasm, it interacts with 7SK RNA, facilitating the release of P-TEFb from inhibitory complexes, thus promoting gene transcription. Additionally, it works alongside SIRT7 to prevent R-loop-associated DNA damage, highlighting its role in maintaining transcriptional integrity.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Nucleolar RNA helicase 2 unveils potential avenues for therapeutic intervention.

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