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.
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 top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O75508
UPID:
CLD11_HUMAN
Alternative names:
Oligodendrocyte-specific protein
Alternative UPACC:
O75508; B2R7C1; D3DNQ5; Q5U0P3
Background:
Claudin-11, also known as Oligodendrocyte-specific protein, is pivotal in the formation of tight junctions in cells, facilitating cell-adhesion activity independent of calcium. This protein's role is crucial in maintaining the integrity of the intercellular space, ensuring proper cellular function and communication.
Therapeutic significance:
Claudin-11's mutation leads to Leukodystrophy, hypomyelinating, 22, a disorder marked by developmental delays, motor impairments, and brain abnormalities. Understanding the role of Claudin-11 could open doors to potential therapeutic strategies for this and related neurological conditions.