Focused On-demand Library for Forkhead box protein J1

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Q92949

UPID:

FOXJ1_HUMAN

Alternative names:

Forkhead-related protein FKHL13; Hepatocyte nuclear factor 3 forkhead homolog 4

Alternative UPACC:

Q92949; O00630

Background:

Forkhead box protein J1, also known as Forkhead-related protein FKHL13 and Hepatocyte nuclear factor 3 forkhead homolog 4, is a pivotal transcription factor essential for the formation of motile cilia. It activates genes crucial for assembling motile cilia, targeting DNA sequences to regulate the transcription of various ciliary proteins in the brain and lung.

Therapeutic significance:

Linked to diseases such as Allergic rhinitis and Ciliary dyskinesia, primary, 43, Forkhead box protein J1's role in these conditions underscores its potential as a target for therapeutic intervention. Understanding its function could pave the way for innovative treatments for these respiratory and inflammatory disorders.