Benzotriazole-oxadiazole hybrid Compounds: Synthesis, anticancer Activity, molecular docking and ADME profiling studies

Basit Öğe Kaydı
dc.authoridhttps://orcid.org/0000-0002-0420-2043tr
dc.contributor.authorMermer, Arif
dc.contributor.authorBulbul, Muhammet Volkan
dc.contributor.authorKalender, Semiha Mervenur
dc.contributor.authorKeskin, Ilknur
dc.contributor.authorTuzun, Burak
dc.contributor.authorEyupoglu, Ozan Emre
dc.date.accessioned2023-04-12T05:29:51Z
dc.date.available2023-04-12T05:29:51Z
dc.date.issued29.04.2022tr
dc.departmentSivas Meslek Yüksekokulutr
dc.description.abstractHerein the designed novel benzotriazole-oxadiazole hybrid compounds were synthesized using both conventional method and ultrasound sonication (US) as an environmentally friendly method. It was observed that the US method provided an increase in reaction yields by reducing the reaction time approximately 3-fold. The synthesized compounds were investigated against PANC-1 cell line. All obtained compounds were characterized by FT-IR, 1H NMR, 13C NMR and MS spectroscopic techniques. The compounds 4b and 4d exhibited very promising anticancer activity results with IC50 values of 117.5 ± 0.084 lM and 87.82 ± 4.319 lM, respectively. Further, molecular docking studies to suggest how the synthesized compounds interact with the kinase domain of human DDR1 in complex of pancreatic Cancer proteins (PDB ID: 6HP9), and the crystal structure of PDEd of pancreatic Cancer proteins (PDB ID: 5E80). It was concluded from the docking studies that the compound 4d demonstrated the highest binding score values for active site of both proteins. Afterwards, ADME calculations were performed to examine the drug properties of benzotriazole-oxadiazole hybrid compounds.tr
dc.identifier.citationArif Mermer a,⇑ , Muhammet Volkan Bulbul b,c , Semiha Mervenur Kalender b , Ilknur Keskin b , Burak Tuzun d , Ozan Emre Eyupoglu e aUniversity of Health Sciences Turkey, Experimental Medicine Research and Application Center, Uskudar, 34662, Istanbul, Turkey bDepartment of Histology and Embryology, School of Medicine, Istanbul Medipol University, Beykoz, 34810, Istanbul, Turkey cDepartment of Histology and Embryology, Faculty of Medicine, Nisantasi University, Sarıyer, 34398, Istanbul, Turkey d Plant and Animal Production Department, Technical Sciences Vocational School of Sivas, Sivas Cumhuriyet University, Sivas, Turkey eDepartment of Biochemistry, School of Pharmacy, Istanbul Medipol University, Beykoz, 34810, Istanbul, Turkeytr
dc.identifier.doi10.1016/j.molliq.2022.119264en_US
dc.identifier.scopus2-s2.0-85129457547en_US
dc.identifier.scopusqualityN/A
dc.identifier.startpage119264tr
dc.identifier.urihttps://hdl.handle.net/20.500.12418/13573
dc.identifier.volume359tr
dc.identifier.wosWOS:000804373700014en_US
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.relation.ispartofJournal of Molecular Liquidsen_US
dc.relation.publicationcategoryRaportr
dc.rightsinfo:eu-repo/semantics/openAccesstr
dc.subjectADMEtr
dc.subjectMolecular Dockingtr
dc.subjectAnticancer Activitytr
dc.subjectOxadiazoletr
dc.subjectBenzotriazoletr
dc.titleBenzotriazole-oxadiazole hybrid Compounds: Synthesis, anticancer Activity, molecular docking and ADME profiling studiesen_US
dc.typeArticleen_US

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim
İsim:
1-s2.0-S0167732222008029-main.pdf
Boyut:
3.16 MB
Biçim:
Adobe Portable Document Format
Açıklama:
İndir
Lisans paketi
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
license.txt
Boyut:
1.44 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Sivas Teknik Bilimler Meslek Yüksekokulu Makale Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu