Design, synthesis, in vitro and computational analyses of anticancer nicotinamide derivatives

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dc.contributor.authorGomec, Muhammed
dc.contributor.authorNasif, Vesim
dc.contributor.authorKafa, Ayse Huemeyra Taskin
dc.contributor.authorSayin, Koray
dc.contributor.authorGezegen, Hayreddin
dc.contributor.authorAtaseven, Hilmi
dc.date.accessioned2024-10-26T18:07:51Z
dc.date.available2024-10-26T18:07:51Z
dc.date.issued2024
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractThe search for ideal treatment continues for many health problems such as cancer and infection. In this context, new synthesis compounds have been promising and the nicotinamide derivative compounds, which is an important heterocyclic derivative, has attracted the attention of many researchers. Nowdays, anticancer, antifungal, antimicrobial, antibacterial and antibiofilm effects of some nicotinamide derivatives have been demonstrated. In this study, nine new nicotinamide derivative compounds have been designed and synthesized. The characterization of these synthesized compounds have been done by in silico methods. The anticancer effects of the compounds have been investigated in four different cancer types and compared with their effects on healthy fibroblast cells. N4 has been found to have a cytotoxic effect on MCF-7 human breast cancer, and the IC50 value has been calculated as 12.1 mu M. In addition, antibacterial, antifungal and antibiofilm activities were investigated by in vitro methods and they have been shown to be effective. As a result, it is observed that N4, one of the newly synthesized nicotinamide derivative compounds, has a serious cytotoxic effect in MCF-7 human breast cancer cells compared to healthy fibroblast cells. Pharmacophore map and ADME analyses of studied compound are performed in detail.
dc.description.sponsorshipScientific Research Project Fund of Sivas Cumhuriyet University [RGD-036]
dc.description.sponsorshipThis work is supported by the Scientific Research Project Fund of Sivas Cumhuriyet University under the project number RGD-036. This research was made possible by TUBITAK ULAKBIM, High Performance, and Grid Computing Center (TR-Grid e-Infrastructure).
dc.identifier.doi10.56042/ijc.v63i2.4273
dc.identifier.endpage158
dc.identifier.issn0019-5103
dc.identifier.issue2
dc.identifier.scopus2-s2.0-85186088857
dc.identifier.scopusqualityN/A
dc.identifier.startpage145
dc.identifier.urihttps://doi.org/10.56042/ijc.v63i2.4273
dc.identifier.urihttps://hdl.handle.net/20.500.12418/29700
dc.identifier.volume63
dc.identifier.wosWOS:001171644900003
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherNatl Inst Science Communication & Policy Research-Niscpr
dc.relation.ispartofIndian Journal of Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectNicotinamide
dc.subjectSynthesis
dc.subjectDFT
dc.subjectIn silico
dc.subjectAnticancer
dc.titleDesign, synthesis, in vitro and computational analyses of anticancer nicotinamide derivatives
dc.typeArticle

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