AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DNA-directed RNA polymerase II subunit RPB2

Available from Reaxense
Predicted by Alphafold

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P30876

UPID:

RPB2_HUMAN

Alternative names:

DNA-directed RNA polymerase II 140 kDa polypeptide; DNA-directed RNA polymerase II subunit B; RNA polymerase II subunit 2; RNA polymerase II subunit B2

Alternative UPACC:

P30876; A8K1A8; Q8IZ61

Background:

DNA-directed RNA polymerase II subunit RPB2, also known as DNA-directed RNA polymerase II 140 kDa polypeptide, plays a pivotal role in the transcription of DNA into RNA, utilizing ribonucleoside triphosphates as substrates. It is a crucial component of RNA polymerase II, responsible for synthesizing mRNA precursors and various functional non-coding RNAs. RPB2, alongside the largest subunit, forms the polymerase active center, contributing significantly to the enzyme's catalytic activity.

Therapeutic significance:

Understanding the role of DNA-directed RNA polymerase II subunit RPB2 could open doors to potential therapeutic strategies.

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