A New Candidate for the Treatment of Alzheimer's Disease; Synthesis, Characterization, Investigation of Drug Properties with In Silico Methods

Basit Öğe Kaydı
dc.contributor.authorTilki, Tahir
dc.contributor.authorYeşil, Tolga Acar
dc.contributor.authorDilek, Ömer
dc.date.accessioned2026-04-25T14:11:33Z
dc.date.available2026-04-25T14:11:33Z
dc.date.issued2025
dc.departmentSinop Üniversitesi
dc.description.abstractBrain disorder-caused mortality has emerged as the second of all diseases worldwide in the 21st century. Alzheimer’s Disease (AD) is the most common disease that takes place among brain disorders according to statistics. Therefore, in this study, potential new drug candidate for AD (2-amino-N'-benzylidene-4-(trifluoromethyl)benzohydrazide, ABTH) was synthesized, starting from -CF3 and -NO2 containing carboxylic acid. The structure of ABTH was elucidated using 1H, 13C-APT NMR, FTIR, and Mass analyses. ADMEt properties were calculated and from the ADMEt results, it was observed that the ABTH crossed the Blood-Brain Barrier (BBB), the most important property in evaluating new drug candidate in brain disorders. Molecular Docking studies were conducted using proteins related AD. According to docking studies, 2OI0-ABTH was the highest docking score with the -8.9 kcal/mol. Standard drugs (Donepezil, Galantamine, Rivastigmine) used in AD treatment were also docked with the AD proteins to do meaningful comparison. The molecular docking results showed that the ABTH has higher docking score than standards. Since 2OI0-ABTH complex had the best docking score, it was chosen for the MD simulation studies. From the obtained results, It can be suggested that ABTH promising drug candidate for AD after further investigations were done
dc.identifier.doi10.17776/csj.1487341
dc.identifier.endpage72
dc.identifier.issn2587-2680
dc.identifier.issn2587-246X
dc.identifier.issue1
dc.identifier.startpage62
dc.identifier.trdizinid1307447
dc.identifier.urihttps://doi.org/10.17776/csj.1487341
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1307447
dc.identifier.urihttps://hdl.handle.net/11486/7968
dc.identifier.volume46
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofCumhuriyet Science Journal
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_TR_20260420
dc.subjectTıbbi İnformatik
dc.subjectNörolojik Bilimler
dc.subjectKimya
dc.subjectTıbbi
dc.titleA New Candidate for the Treatment of Alzheimer's Disease; Synthesis, Characterization, Investigation of Drug Properties with In Silico Methods
dc.typeArticle

Dosyalar

Koleksiyon

TR-Dizin İndeksli Yayınlar Koleksiyonu