Focused On-demand Library for Forkhead box protein E3

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q13461

UPID:

FOXE3_HUMAN

Alternative names:

Forkhead-related protein FKHL12; Forkhead-related transcription factor 8

Alternative UPACC:

Q13461; Q5SVY9; Q9NQV9

Background:

Forkhead box protein E3, also known as Forkhead-related protein FKHL12 and Forkhead-related transcription factor 8, plays a pivotal role in lens epithelial cell growth by regulating proliferation, apoptosis, and cell cycle. It is crucial for lens development, ensuring the proper ratio of lens fiber cells to anterior lens epithelium cells through its influence on cell proliferation and differentiation. Additionally, it is instrumental in lens vesicle closure and separation from the ectoderm, and controls DNAJB1 expression, vital for anterior segment eye development.

Therapeutic significance:

Given its involvement in anterior segment dysgenesis 2, cataract 34, multiple types, and familial thoracic aortic aneurysm 11, Forkhead box protein E3 represents a significant target for therapeutic intervention. Understanding its role could open doors to potential therapeutic strategies for these conditions.