Hossein Shirani - Department of Chemistry, Iran University of Science and Technology, P.O. Box ۱۶۸۴۶-۱۳۱۱۴, Tehran, Iran
Bahar Abolghasem - Department of Biotechnology, Faculty of Biological Sciences and Technology, University of Science and Culture, Tehran, Iran.

This study explores Budesonide's adsorption in simulated drug delivery systems via quantummechanical calculations using the B۳LYP/۶-۳۱۱+G computational method. Budesonide is crucial in treating COPDexacerbated by prevalent air pollution in Iran. Investigating its molecular interactions offers insights intoenhancing therapeutic efficacy for COPD patients affected by environmental pollutants

Budesonide; Drug Delivery; HLG Gap; DFT; B۳LYP/۶-۳۱۱+G