When Escitalopram is Surrounded by Ethanol: A DFT and QTAIM Approach to Analyze The Drug and The Alcohol Interactions and It’s Possible Outcomes
Makaleler > Tam Makale · 2024
Yazarlar: Özge Bağlayan, Mustafa Kemal Karaman, Cemal PARLAK, Özgür Alver
Süleyman Demirel University Journal of Natural and Applied Sciences, Hakemli Üniversite Dergisi, Uluslararası, Ebsco, 2024, cilt 28, ss 348-357
DOI: 10.19113/sdufenbed.1471672
Özet
In the scope of this work the antidepressant escitalopram was surrounded by ethanol commonly referred as alcohol step by step and the possible results of this invasion on escitalopram drug molecule were examined principally by density functional theory methods. Also for analyzing hydrogen bonding interactons, quantum theory of atoms in molecules was used. In this method, the nature of interaction is classified whether it is covalent, partially covalent or noncovalent. According to the results it was observed that the escitalopram under attack by ethanol shows quite different chemical properties which must be taken into account when used together with alcohol.