Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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.
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 stands out due to several important features:
partner
Reaxense
upacc
Q00577
UPID:
PURA_HUMAN
Alternative names:
Purine-rich single-stranded DNA-binding protein alpha
Alternative UPACC:
Q00577
Background:
Transcriptional activator protein Pur-alpha, also known as Purine-rich single-stranded DNA-binding protein alpha, plays a pivotal role in gene expression. It specifically binds the PUR element upstream of the MYC gene, influencing DNA replication and recombination processes.
Therapeutic significance:
Linked to a neurodevelopmental disorder characterized by neonatal respiratory insufficiency, hypotonia, and feeding difficulties, understanding Pur-alpha's role could unveil novel therapeutic avenues.