Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q01453
UPID:
PMP22_HUMAN
Alternative names:
Growth arrest-specific protein 3
Alternative UPACC:
Q01453; Q8WV01
Background:
Peripheral myelin protein 22, also known as Growth arrest-specific protein 3, plays a crucial role in the peripheral nervous system's myelinization. This protein is pivotal in growth regulation, ensuring the proper development and function of nerve cells.
Therapeutic significance:
Mutations in Peripheral myelin protein 22 are linked to several neuropathies, including Charcot-Marie-Tooth disease and Dejerine-Sottas syndrome. Understanding its role could lead to novel treatments for these debilitating conditions.