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 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8TC26
UPID:
TM163_HUMAN
Alternative names:
-
Alternative UPACC:
Q8TC26; Q53QM3; Q53SV7; Q69YH3; Q9UFG3
Background:
Transmembrane protein 163 (TMEM163) functions as a zinc ion transporter, crucial for maintaining intracellular zinc homeostasis. It binds divalent cations like Zn(2+), Ni(2+), and Cu(2+) to a lesser extent. TMEM163 modulates P2X purinoceptors, impacting central nervous system development, myelination, and oligodendrocyte survival.
Therapeutic significance:
TMEM163 is linked to hypomyelinating leukodystrophy 25 (HLD25), a disorder marked by early infancy onset, nystagmus, hypotonia, and delayed development. Understanding TMEM163's role could unveil new therapeutic strategies for HLD25, offering hope for improved patient outcomes.