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.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O14810
UPID:
CPLX1_HUMAN
Alternative names:
Complexin I; Synaphin-2
Alternative UPACC:
O14810; A6NI80; B2R4R5; D3DVN3; F1T0G1
Background:
Complexin-1, also known as Complexin I or Synaphin-2, plays a crucial role in the regulation of neurotransmitter release at synapses. It orchestrates the SNARE complex formation, ensuring that neurotransmitters are not released prematurely, but rather in response to an action potential. This precise control is vital for synaptic transmission and neuronal communication.
Therapeutic significance:
The association of Complexin-1 with Developmental and Epileptic Encephalopathy 63 (DEE63) highlights its potential as a therapeutic target. Understanding the role of Complexin-1 could open doors to potential therapeutic strategies for treating this severe neurological condition.