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.
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.
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.
We employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96MP8
UPID:
KCTD7_HUMAN
Alternative names:
-
Alternative UPACC:
Q96MP8; A4D2M4; Q8IVR0
Background:
BTB/POZ domain-containing protein KCTD7 plays a crucial role in the control of cortical neuron excitability. This protein's involvement in neuronal activities underscores its significance in the central nervous system.
Therapeutic significance:
KCTD7 is linked to Epilepsy, progressive myoclonic 3, a severe neurological disorder characterized by myoclonic seizures and neurodegeneration. Understanding the role of KCTD7 could open doors to potential therapeutic strategies for this debilitating condition.