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.
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.
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 employ our advanced, specialised process to create 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H8M5
UPID:
CNNM2_HUMAN
Alternative names:
Ancient conserved domain-containing protein 2; Cyclin-M2
Alternative UPACC:
Q9H8M5; Q5T569; Q5T570; Q8WU59; Q9H952; Q9NRK5; Q9NXT4
Background:
Metal transporter CNNM2, also known as Ancient conserved domain-containing protein 2 or Cyclin-M2, plays a pivotal role in the transport of divalent metal cations, prioritizing magnesium. This protein's ability to regulate magnesium levels is crucial for maintaining cellular functions and overall homeostasis.
Therapeutic significance:
CNNM2's dysfunction is directly linked to Hypomagnesemia 6 and Hypomagnesemia, seizures, and impaired intellectual development 1, diseases characterized by low serum magnesium levels, seizures, and developmental delays. Understanding the role of Metal transporter CNNM2 could open doors to potential therapeutic strategies for these conditions.