Focused On-demand Library for Protein max

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the target protein, both isolated and in complex with key partner proteins, complemented by ensemble virtual screening that accounts for conformational mobility in the unbound and complex states. The tentative binding sites are explored on the protein-protein interaction interface and at remote allosteric locations, encompassing the entire spectrum of potential mechanisms of action.

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

P61244

UPID:

MAX_HUMAN

Alternative names:

Class D basic helix-loop-helix protein 4; Myc-associated factor X

Alternative UPACC:

P61244; A6NH73; A8K265; A8K4G4; A8K824; P25912; P52163; Q14803; Q96CY8

Background:

Protein max, also known as Myc-associated factor X, plays a pivotal role in transcription regulation. It forms a DNA-binding protein complex with MYC or MAD, targeting the core sequence 5'-CAC[GA]TG-3'. This interaction can either activate or repress transcription, influenced by the nature of the complex formed. The MYC:MAX complex acts as a transcriptional activator, while the MAD:MAX complex serves as a repressor, potentially through recruitment of a chromatin remodeling complex.

Therapeutic significance:

Pheochromocytoma, a tumor resulting from excessive catecholamine production, has been linked to variants affecting the gene encoding Protein max. Understanding the role of Protein max could open doors to potential therapeutic strategies for this condition, highlighting its significance in disease modulation.