AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nuclear receptor subfamily 1 group D member 2

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 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

Q14995

UPID:

NR1D2_HUMAN

Alternative names:

Orphan nuclear hormone receptor BD73; Rev-erb alpha-related receptor; Rev-erb-beta; V-erbA-related protein 1-related

Alternative UPACC:

Q14995; B2R8Q3; O00402; Q86XD4

Background:

Nuclear receptor subfamily 1 group D member 2, also known as Rev-erb alpha-related receptor, plays a pivotal role in regulating circadian rhythm and metabolic pathways. It acts as a transcriptional repressor, influencing the expression of core clock components and genes involved in lipid metabolism and the inflammatory response. Its function is modulated by heme, enhancing its interaction with the NCOR1/HDAC3 corepressor complex.

Therapeutic significance:

Understanding the role of Nuclear receptor subfamily 1 group D member 2 could open doors to potential therapeutic strategies.

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