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 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create 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
Q15784
UPID:
NDF2_HUMAN
Alternative names:
Class A basic helix-loop-helix protein 1; NeuroD-related factor
Alternative UPACC:
Q15784; Q8TBI7; Q9UQC6
Background:
Neurogenic differentiation factor 2, also known as NeuroD-related factor, plays a pivotal role in neuronal determination and differentiation. It acts as a transcriptional regulator, mediating calcium-dependent transcription activation and is crucial for the repression of neuronal differentiation genetic programs. This protein is involved in the development of various brain regions, including the cerebellum, hippocampus, and the hypothalamic-pituitary axis.
Therapeutic significance:
Given its involvement in Developmental and epileptic encephalopathy 72, a severe early-onset epilepsy with neurodevelopmental impairment, understanding the role of Neurogenic differentiation factor 2 could lead to novel therapeutic strategies targeting this and potentially other neurodevelopmental disorders.