Synthesis, molecular docking studies, and biological evaluation of novel alkyl bis(4-amino-5-cyanopyrimidine) derivatives

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dc.authorid0000-0003-4612-4642en_US
dc.authorid0000-0003-2933-5296
dc.authorid0000-0001-7712-2813
dc.contributor.authorBoualia, Imen
dc.contributor.authorDerabli, Chamseddine
dc.contributor.authorBoulcina, Raouf
dc.contributor.authorBensouici, Chawki
dc.contributor.authorYıldırım, Muhammet
dc.contributor.authorYıldırım, Arzu Birinci
dc.contributor.authorMokrani, El Hassen
dc.date.accessioned2021-06-23T19:51:07Z
dc.date.available2021-06-23T19:51:07Z
dc.date.issued2019
dc.departmentBAİBÜ, Fen Edebiyat Fakültesi, Kimya Bölümüen_US
dc.description.abstractA series of bis(4-amino-5-cyano-pyrimidines) was synthesized and evaluated as dual inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). To further explore the multifunctional properties of the new derivatives, their antioxidant and antibacterial activities were also tested. The results showed that most of these compounds could effectively inhibit AChE and BChE. Particularly, compound 7c exhibited the best AChE inhibitory activity (IC50 = 5.72 +/- 1.53 mu M), whereas compound 7h was identified as the most potent BChE inhibitor (IC50 = 12.19 +/- 0.57 mu M). Molecular modeling study revealed that compounds 7c, 7f, and 7b showed a higher inhibitory activity than that of galantamine against both AChE and BChE. Anticholinesterase activity of compounds 7h, 7b, and 7c was significant in vitro and in silico for both enzymes, since these compounds have hydrophobic rings (Br-phenyl, dimethyl, and methoxyphenyl), which bind very well in both sites. In addition to cholinesterase inhibitory activities, these compounds showed different levels of antioxidant activities. Indeed, in the superoxide-dimethyl sulfoxide alkaline assay, compound 7j showed very high inhibition (IC50 = 0.37 +/- 0.28 mu M). Also, compound 7l exhibited strong and good antibacterial activity against Staphylococcus epidermidis and Staphylococcus aureus, respectively. Taking into account the results of biological evaluation, further modifications will be designed to increase potency on different targets. In this study, the obtained results can be a new starting point for further development of multifunctional agents for the treatment of Alzheimer's disease.en_US
dc.identifier.doi10.1002/ardp.201900027
dc.identifier.issn0365-6233
dc.identifier.issn1521-4184
dc.identifier.issue11en_US
dc.identifier.pmid31448454en_US
dc.identifier.scopus2-s2.0-85071085758en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/ardp.201900027
dc.identifier.urihttps://hdl.handle.net/20.500.12491/9926
dc.identifier.volume352en_US
dc.identifier.wosWOS:000482644600001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorYıldırım, Muhammet
dc.institutionauthorYıldırım, Arzu Birinci
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofArchiv Der Pharmazieen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAlkyl Bis(4-Amino-5-Cyano-Pyrimidines)en_US
dc.subjectAntibacterial Activityen_US
dc.subjectAnticholinesterase Activityen_US
dc.subjectAntioxidant Effecten_US
dc.subjectMolecular Docking Studiesen_US
dc.titleSynthesis, molecular docking studies, and biological evaluation of novel alkyl bis(4-amino-5-cyanopyrimidine) derivativesen_US
dc.typeArticleen_US

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