Focused On-demand Library for Proteasome maturation protein

Details

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.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


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
Q9Y244

UPID:
POMP_HUMAN

ALTERNATIVE NAMES:
Proteassemblin; Protein UMP1 homolog; Voltage-gated K channel beta subunit 4.1

ALTERNATIVE UPACC:
Q9Y244; A5HKJ2; D6MXU3; Q9HB69

BACKGROUND:
The Proteasome maturation protein, identified by its aliases including Proteassemblin and Protein UMP1 homolog, is crucial for proteasome assembly and function. It mediates the critical step of associating 20S preproteasome with the endoplasmic reticulum, a process vital for cellular proteostasis. Following proteasome maturation, the protein is marked for degradation.

THERAPEUTIC SIGNIFICANCE:
Given its association with conditions like Keratosis linearis with ichthyosis congenita and sclerosing keratoderma, and Proteasome-associated autoinflammatory syndrome 2, the Proteasome maturation protein represents a significant target for drug discovery. Its role in these diseases opens doors to potential therapeutic strategies, offering hope for patients suffering from these genetic disorders.

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