Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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
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:
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.