AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Deubiquitinating protein VCPIP1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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

 Fig. 1. The sreening 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

Reaxense

upacc

Q96JH7

UPID:

VCIP1_HUMAN

Alternative names:

Valosin-containing protein p97/p47 complex-interacting protein 1; Valosin-containing protein p97/p47 complex-interacting protein p135

Alternative UPACC:

Q96JH7; Q504T4; Q86T93; Q86W01; Q8N3A9; Q9H5R8

Background:

Deubiquitinating protein VCPIP1, also known as Valosin-containing protein p97/p47 complex-interacting protein 1, plays a crucial role in cellular processes including DNA repair, Golgi apparatus reassembly, and endoplasmic reticulum formation post-mitosis. It is instrumental in VCP-mediated processes and facilitates the dissociation of specific protein complexes. Additionally, VCPIP1 is pivotal in DNA repair by catalyzing deubiquitination of SPRTN, enhancing its recruitment to chromatin for DNA-protein cross-link cleavage.

Therapeutic significance:

Understanding the role of Deubiquitinating protein VCPIP1 could open doors to potential therapeutic strategies.

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