Focused On-demand Library for Cyclin-F

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P41002

UPID:

CCNF_HUMAN

Alternative names:

F-box only protein 1

Alternative UPACC:

P41002; B2R8H3; Q96EG9

Background:

Cyclin-F, also known as F-box only protein 1, plays a pivotal role in cell cycle regulation and genome stability. It is a crucial component of the SCF (SKP1-CUL1-F-box protein) E3 ubiquitin-protein ligase complex, facilitating the ubiquitination and proteasomal degradation of target proteins. This process is essential for the orderly progression of the cell cycle and the maintenance of genomic integrity, including the regulation of centrosome duplication, dNTP pool balance, and DNA re-replication prevention.

Therapeutic significance:

Cyclin-F is implicated in Frontotemporal dementia and/or amyotrophic lateral sclerosis 5, a neurodegenerative disorder with significant genetic underpinnings. Understanding the role of Cyclin-F could open doors to potential therapeutic strategies, offering hope for interventions that could modify the course of these devastating diseases.