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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H3T3
UPID:
SEM6B_HUMAN
Alternative names:
Semaphorin-Z
Alternative UPACC:
Q9H3T3; A5PKU4; F6IB19; Q9NRK9
Background:
Semaphorin-6B, also known as Semaphorin-Z, plays a pivotal role in the development of the nervous system. It functions as a cell surface repellent for mossy fibers in the hippocampus, guiding axon pathways and influencing neuron connectivity. Additionally, it serves as a receptor for P.sordellii toxin TcsL, impacting vascular endothelium.
Therapeutic significance:
Linked to Epilepsy, progressive myoclonic 11 (EPM11), Semaphorin-6B's genetic variants underscore its clinical importance. Understanding its role could unveil novel therapeutic strategies for managing this debilitating neurological disorder.