Focused On-demand Library for Heat shock factor protein 4

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

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

Q9ULV5

UPID:

HSF4_HUMAN

Alternative names:

Heat shock transcription factor 4

Alternative UPACC:

Q9ULV5; Q99472; Q9ULV6

Background:

Heat shock factor protein 4 (HSF4) is a pivotal transcription factor, specifically binding to heat shock promoter elements (HSE). It plays a crucial role in eye lens terminal differentiation, ensuring transparency by regulating the degradation of membrane-bound organelles. HSF4's involvement extends to DNA repair, through the regulation of RAD51, and the up-regulation of p53/TP53 protein in eye lens fiber cells, highlighting its significance in cellular integrity and stress response.

Therapeutic significance:

HSF4's mutation is directly linked to Cataract 5, multiple types, a condition characterized by the opacification of the crystalline lens, leading to visual impairment or blindness. Understanding the role of Heat shock factor protein 4 could open doors to potential therapeutic strategies, offering hope for targeted interventions in cataract treatment and possibly other related ocular diseases.