Focused On-demand Library for Sentrin-specific protease 7

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
Q9BQF6

UPID:
SENP7_HUMAN

ALTERNATIVE NAMES:
SUMO-1-specific protease 2; Sentrin/SUMO-specific protease SENP7

ALTERNATIVE UPACC:
Q9BQF6; A1L3A5; A8MW39; B7WNW8; Q7Z3F4; Q96PS5; Q9C0F6; Q9HBT5

BACKGROUND:
The enzyme Sentrin-specific protease 7, known alternatively as SUMO-1-specific protease 2 or SENP7, is a protease that positively regulates the cGAS-STING pathway through desumoylation of CGAS. This action enhances CGAS's DNA-binding activity, leading to its oligomerization and activation. SENP7 is adept at removing SUMO2 and SUMO3 modifications from proteins, specifically targeting poly-SUMO2 and poly-SUMO3 chains, though it shows minimal activity towards full-length SUMO proteins.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Sentrin-specific protease 7 offers a promising avenue for developing novel therapeutic interventions, especially in the realm of immune regulation and the management of inflammatory diseases.

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