AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for COP9 signalosome complex subunit 4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening 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 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

Reaxense

upacc

Q9BT78

UPID:

CSN4_HUMAN

Alternative names:

JAB1-containing signalosome subunit 4

Alternative UPACC:

Q9BT78; B3KN88; B3KST5; Q561W7; Q9NW31; Q9Y677

Background:

COP9 signalosome complex subunit 4, also known as JAB1-containing signalosome subunit 4, plays a pivotal role in cellular and developmental processes. It is a key component of the COP9 signalosome complex (CSN), crucial for the regulation of the ubiquitin conjugation pathway. This regulation is achieved through the deneddylation of cullin subunits of SCF-type E3 ligase complexes, leading to decreased ubiquitin ligase activity. Additionally, it participates in the deneddylation of non-cullin subunits and is involved in the phosphorylation of several important proteins, including p53/TP53 and c-jun/JUN.

Therapeutic significance:

Understanding the role of COP9 signalosome complex subunit 4 could open doors to potential therapeutic strategies.

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