Focused On-demand Library for F-box only protein 5

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UKT4

UPID:

FBX5_HUMAN

Alternative names:

Early mitotic inhibitor 1

Alternative UPACC:

Q9UKT4; B3KNX5; Q5TF47; Q8WV29; Q9UGC8

Background:

F-box only protein 5, also known as Early mitotic inhibitor 1, plays a pivotal role in cell cycle regulation. It functions as both a substrate and inhibitor of the APC-FZR1 complex, transitioning roles from G1 to S and G2 phases to ensure proper cell cycle progression. This protein is crucial in maintaining genome integrity by coordinating DNA replication with mitosis, thereby preventing DNA damage and cellular senescence.

Therapeutic significance:

Understanding the role of F-box only protein 5 could open doors to potential therapeutic strategies. Its involvement in cell cycle regulation and genome integrity preservation highlights its potential as a target for cancer therapy, where cell cycle dysregulation is a common hallmark.