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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q15818
UPID:
NPTX1_HUMAN
Alternative names:
Neuronal pentraxin I
Alternative UPACC:
Q15818; B3KXH3; Q5FWE6
Background:
Neuronal pentraxin-1, alternatively known as Neuronal pentraxin I, plays a crucial role in synaptic remodeling and the synaptic clustering of AMPA glutamate receptors at certain excitatory synapses. Its involvement in these processes is essential for the proper functioning of neuronal circuits.
Therapeutic significance:
Spinocerebellar ataxia 50, a disorder characterized by progressive incoordination and cerebellar atrophy, is linked to variants affecting Neuronal pentraxin-1. Understanding the role of Neuronal pentraxin-1 could open doors to potential therapeutic strategies for this debilitating condition.