AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for F-box only protein 31

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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 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

Q5XUX0

UPID:

FBX31_HUMAN

Alternative names:

-

Alternative UPACC:

Q5XUX0; Q5K680; Q8WYV1; Q96D73; Q9UFV4

Background:

F-box only protein 31 plays a pivotal role in cellular processes by being a part of the SCF (SKP1-cullin-F-box) protein ligase complex. It is instrumental in G1 arrest following DNA damage by recognizing phosphorylated cyclin-D1 (CCND1), leading to its ubiquitination and degradation. This action halts the cell cycle in G1, showcasing its potential as a tumor suppressor.

Therapeutic significance:

The protein is linked to Intellectual developmental disorder, autosomal recessive 45, characterized by below-average intellectual functioning and dysmorphic features. Understanding the role of F-box only protein 31 could open doors to potential therapeutic strategies for this disorder.

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