Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
Our high-tech, dedicated method is applied to construct 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.
Key features that set our library apart include:
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.