Focused On-demand Library for Paired mesoderm homeobox protein 1

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 high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

P54821

UPID:

PRRX1_HUMAN

Alternative names:

Homeobox protein PHOX1; Paired-related homeobox protein 1

Alternative UPACC:

P54821; B5BUM7; O60807

Background:

Paired mesoderm homeobox protein 1, also known as Homeobox protein PHOX1 and Paired-related homeobox protein 1, plays a pivotal role in muscle development. It acts as a transcriptional regulator of muscle creatine kinase (MCK), crucial for the establishment of diverse mesodermal muscle types. This protein's interaction with an A/T-rich element in the muscle creatine enhancer underscores its significance in muscle physiology.

Therapeutic significance:

The protein's involvement in the Agnathia-otocephaly complex, a rare but lethal condition, highlights its clinical importance. Understanding the role of Paired mesoderm homeobox protein 1 could open doors to potential therapeutic strategies for this and related disorders.