Optical properties of nanostructured antiviral and anticancer drugs

AA Pisu, F Siddi, G Cappellini, R Cardia - RSC advances, 2023 - pubs.rsc.org
We present a computational study on the optical absorption properties of some systems of
interest in the field of drug delivery. In particular we considered as drug molecules favipiravir …

Feasibility of nitride-based nanocages for the targeted delivery of ifosfamide: a DFT exploration

AU Rahman, DM Saaduzzaman, SM Hasan… - New Journal of …, 2024 - pubs.rsc.org
Cancer is one of the most serious health issues and the second leading cause of death after
heart disease. Targeted delivery of anticancer drugs via nanocages can help overcome the …

A comparative density functional theory study of BMSF-BENZ chemisorption on Zn12O12, Al12P12 nanocages

Z Al-Sawaff, SS Dalgic, ZA Najim… - … and Chemistry of …, 2022 - journals.pnu.edu.ua
The present study aims to investigate the potential and capability of Zinc-Oxide nanocage
and aluminum phosphide nanocage to detect and adsorb ((4-Bromo-7-methoxy-1-(2 …

A B3LYP/DFT Study on the Structure Activity Relationship for Benzimidazole Derivatives in Water Solution

ZH Al-Sawaff, MA Basaran, F Kandemirli - Russian Journal of Physical …, 2022 - Springer
In this article, a theoretical chemical study on 41 benzimidazole derivatives compounds
used to treat osteoporosis was performed in water phase using density functional theory …