Focused On-demand Library for Mediator of RNA polymerase II transcription subunit 12

Focused On-demand Libraries - Receptor.AI 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.


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.


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.


Our high-tech, dedicated method is applied to construct targeted libraries for protein-protein interfaces.


 

Fig. 1. The screening workflow of Receptor.AI

The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q93074

UPID:
MED12_HUMAN

ALTERNATIVE NAMES:
Activator-recruited cofactor 240 kDa component; CAG repeat protein 45; Mediator complex subunit 12; OPA-containing protein; Thyroid hormone receptor-associated protein complex 230 kDa component; Trinucleotide repeat-containing gene 11 protein

ALTERNATIVE UPACC:
Q93074; O15410; O75557; Q9UHV6; Q9UND7

BACKGROUND:
The Mediator complex subunit 12, known for its involvement in the Wnt and SHH signaling pathways, serves as a scaffold for the assembly of the RNA polymerase II pre-initiation complex. Its alternative names include Activator-recruited cofactor 240 kDa component and Thyroid hormone receptor-associated protein complex 230 kDa component.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Mediator of RNA polymerase II transcription subunit 12 could open doors to potential therapeutic strategies, especially considering its link to diseases such as Opitz-Kaveggia syndrome and Hardikar syndrome. Its function in gene transcription regulation makes it a compelling target for drug discovery.

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