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.
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 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NQX3
UPID:
GEPH_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NQX3; Q96KU4; Q9H4E9; Q9P2G2
Background:
Gephyrin plays a pivotal role in the nervous system, anchoring inhibitory glycine receptors to microtubules and clustering GABA type A receptors. Its enzymatic activity is crucial for the biosynthesis of the molybdenum cofactor, a key component in various enzymatic reactions.
Therapeutic significance:
Gephyrin's dysfunction is linked to Molybdenum cofactor deficiency, complementation group C, a disorder with severe neurological manifestations. Targeting gephyrin's pathways offers a promising avenue for therapeutic intervention in this and potentially other neurological conditions.