Amelioration potential of synthetic oxime chemical cores against multiple sclerosis and Alzheimer's diseases: Evaluation in aspects of in silico and in vitro experiments

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dc.authorid0000-0002-0704-6306en_US
dc.authorid0000-0002-9250-0293en_US
dc.authorid0000-0002-9528-6122en_US
dc.authorid0000-0003-4163-9962en_US
dc.authorid0000-0002-8444-376Xen_US
dc.contributor.authorYılmaz, Anıl
dc.contributor.authorKoca, Murat
dc.contributor.authorErcan, Selami
dc.contributor.authorAcar, Özden Özgün
dc.contributor.authorBoğa, Mehmet
dc.contributor.authorŞen, Alaattin
dc.contributor.authorKurt, Adnan
dc.date.accessioned2024-08-12T11:53:56Z
dc.date.available2024-08-12T11:53:56Z
dc.date.issued2024en_US
dc.departmentDicle Üniversitesi, Eczacılık Fakültesi, Temel Eczacılık Bilimleri Bölümüen_US
dc.description.abstractAlzheimer disease (AD) and multiple sclerosis (MS) are inflammatory neurological disorders. The main symptom of AD is dementia, and the main symptoms of MS are vertigo, sexual dysfunction, cognitive problems, and fatigue. Today, millions of people are affected by AD and MS, and the number is growing day by day. However, there are not any accurate remedies for both disorders. For this reason, discovering novel drug molecules against neurological disorders such as AD and MS is essential and precious. Oximes and benzofurans exhibit many pharmacological effects including anti-inflammatory and neurological activities. Thus, several novel compounds bearing oxime and benzofuran chemical cores were designed and synthesized, and their in vitro anticholinesterase activities were investigated in our previous study. A number of the synthesized molecules showed excellent anticholinesterase activity against both AChE and BChE enzymes. The mentioned study constituted a background for this study. In this study, we picked different chemical skeletons among all the synthesized molecules to conduct further in silico and in vitro experiments. In order to support our in vitro anticholinesterase findings, we also examined in silico anti-Alzheimer activity of the selected molecules. In addition, in silico and in vitro activities against MS disease of the synthesized molecules were investigated. Molecule 4 extraordinarily showed outstanding activity against AD disease both in silico and in vitro, as well as in silico activity against MS disease. This feature makes molecule 4 a possible drug lead molecule which is very limited in the market. On the other hand, molecule 1, a less substituted oxime skeleton, demonstrated the strongest in vitro activity against MS disease through in vitro anti-inflammatory effect. As an observation, molecule 4 was determined to be the most promising molecule to focus on in the further steps.en_US
dc.identifier.citationYılmaz, A., Koca, M., Ercan, S., Acar, Ö. Ö., Boğa, M., Şen, A. ve diğerleri. (2024). Amelioration potential of synthetic oxime chemical cores against multiple sclerosis and Alzheimer's diseases: Evaluation in aspects of in silico and in vitro experiments. Journal of Molecular Structure, 1318, 1-13.en_US
dc.identifier.endpage13en_US
dc.identifier.issn0022-2860
dc.identifier.scopus2-s2.0-85198039122
dc.identifier.scopusqualityQ1
dc.identifier.startpage1en_US
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0022286024017101?via%3Dihub
dc.identifier.urihttps://hdl.handle.net/11468/28710
dc.identifier.volume1318en_US
dc.identifier.wosWOS:001270467700001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorBoğa, Mehmet
dc.language.isoenen_US
dc.publisherElsevier B.V.en_US
dc.relation.ispartofJournal of Molecular Structure
dc.relation.isversionof10.1016/j.molstruc.2024.139193en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAnti-Alzheimeren_US
dc.subjectAnticholinesteraseen_US
dc.subjectIn silicoen_US
dc.subjectIn vitroen_US
dc.subjectMultiple sclerosisen_US
dc.subjectOximeen_US
dc.titleAmelioration potential of synthetic oxime chemical cores against multiple sclerosis and Alzheimer's diseases: Evaluation in aspects of in silico and in vitro experimentsen_US
dc.titleAmelioration potential of synthetic oxime chemical cores against multiple sclerosis and Alzheimer's diseases: Evaluation in aspects of in silico and in vitro experiments
dc.typeArticleen_US

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