Focused On-demand Library for 7SK snRNA methylphosphate capping enzyme

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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q7L2J0

UPID:
MEPCE_HUMAN

ALTERNATIVE NAMES:
Bicoid-interacting protein 3 homolog

ALTERNATIVE UPACC:
Q7L2J0; B3KP86; D6W5V7; Q9NPD4

BACKGROUND:
The enzyme 7SK snRNA methylphosphate capping enzyme, known alternatively as Bicoid-interacting protein 3 homolog, is crucial for the stabilization of 7SK snRNA through methylation. This process is essential for the proper functioning of the 7SK RNP complex, which plays a key role in controlling transcriptional elongation by inhibiting RNA polymerase II phosphorylation. Additionally, it facilitates the assembly of the 7SK RNP complex and interacts with LARP7, highlighting its importance in transcription regulation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of 7SK snRNA methylphosphate capping enzyme could open doors to potential therapeutic strategies.

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