Leveraging nitrogen occurrence in approved drugs to identify structural patterns.

Vijay H MasandSami Al-HussainAbdullah Y AlzahraniNahed N E El-SayedChien Ing YeoYee Seng TanMagdi E A Zaki

Published in: Expert opinion on drug discovery (2023)

This study has highlighted intriguing trends in the role of nitrogen atoms in drug design and development. The majority of drugs contain 1-3 nitrogen atoms within 5Å from the center of mass (COM) of a molecule, with a higher preference for the ring and planar nitrogen atoms. The results offer invaluable guidance for the multiparameter optimization process, thus significantly contributing toward the conversion of lead compounds into potential drug candidates.

Keyphrases

risk assessment
drug induced
emergency department
climate change
flow cytometry
human health