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Scopus YÖKSİS DOI Eşleşti SJR Q2

Synthesis, in silico and in vitro evaluation of new 3,5-disubstituted-1,2,4-oxadiazole derivatives as carbonic anhydrase inhibitors and cytotoxic agents

Journal of Molecular Structure · Mart 2023

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YÖKSİS Kayıtları
Synthesis, in silico and in vitro evaluation of new 3,5-disubstituted-1,2,4-oxadiazole derivatives as carbonic anhydrase inhibitors and cytotoxic agents
Journal of Molecular Structure · 2023 SCI-Expanded
Dr. Öğr. Üyesi NAGİHAN FAYDALI →
Synthesis, in silico and in vitro evaluation of new 3,5-disubstituted-1,2,4-oxadiazole derivatives as carbonic anhydrase inhibitors and cytotoxic agents
Journal of Molecular Structure · 2023 SCI-Expanded
Prof. Dr. KAAN KÜÇÜKOĞLU →
Synthesis, in silico and in vitro evaluation of new 3,5-disubstituted-1,2,4-oxadiazole derivatives as carbonic anhydrase inhibitors and cytotoxic agents
Journal of Molecular Structure · 2023 SCI-Expanded
Prof. Dr. BAHADIR ÖZTÜRK →
YÖKSİS ISSN Eşleşmesi

Bu dergide (ISSN eşleşmesi) kurumun 20 kaydı bulundu.

YÖKSİS Kayıtları — ISSN Eşleşmesi
Synthesis of new halo-substituted quinolinecarboxaldehyde-hydrazone derivatives, structural illuminations, investigation of effects on acetylcholinesterase activity and molecular modeling studies
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Synthesis, structural characterization, DFT calculations, molecular docking, and antimicrobial activity studies of some new oxazolo[4,5-b]pyridine derivatives
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Synthesis enhanced spectroscopic characterization and electrochemical grafting of N 4 aminophenyl aza 18 crown 6 Application of DEPT HETCOR HMBC NMR and X ray photoelectron spectroscopy
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Amine derivatized calix 4 arenes for sensitive extraction of cupric ion and formation of amine radical cation
2014 ISSN: 00222860 SCI
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Determination of free radical on polycrystal of 4 4 bis chloroacetyl diphenylether An ESR study
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New tridentate azo azomethines and their copper II complexes Synthesis solvent effect on tautomerism electrochemical and biological studies
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An EPR study on radiation induced 4 hydroxyphenyl acetic acid polycrystalline
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Synthesis of novel chiral Schiff base and amino alcohol derivatives of calix 4 arene and chiral recognition properties
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Naked eye detection of fluoride and acetate anions by using simple and efficient urea and thiourea based colorimetric sensors
2013 ISSN: 00222860 SCI-Expanded 10 atıf
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A novel Schiff base bearing dopamine groups with tripodal structure Synthesis and its salen salophen bridged Fe Cr III capped complexes
2013 ISSN: 00222860 SCI-Expanded 1 atıf
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Naked eye detection of fluoride and acetate anions by using simple and efficient urea and thiourea based colorimetric sensors
2013 ISSN: 00222860 SCI-Expanded 10 atıf
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Naked eye detection of fluoride and acetate anions by using simple and efficient urea and thiourea based colorimetric sensors
2013 ISSN: 00222860 SCI-Expanded 13 atıf
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Synthesis enhanced spectroscopic characterization and electrochemical grafting of N 4 aminophenyl aza 18 crown 6 Application of DEPT HETCOR HMBC NMR and X ray photoelectron spectroscopy
2010 ISSN: 00222860 SCI 5 atıf
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New tridentate azo azomethines and their copper II complexes Synthesis solvent effect on tautomerism electrochemical and biological studies
2015 ISSN: 00222860 SCI
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Novel dipodal Schiff base compounds Synthesis characterization and spectroscopic studies
2015 ISSN: 00222860 SCI-Expanded
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Nonlinear optical properties spectroscopic studies and structure of 2 hydroxy 3 methoxy N 2 chloro benzyl benzaldehyde imine
2004 ISSN: 00222860 SCI-Expanded 60 atıf
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Nonlinear optical properties of some derivatives of salicylaldimine based ligands
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The investigation of nonlinear optical properties of N 3 fluorophenyl naphthaldimine
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Synthesis spectroscopic studies and nonlinear optical behavior of N N bis 2 hydroxy 1 naphthylmethylidene 1 methyl 1 2 diaminoethane N N O O nickel II
2006 ISSN: 00222860 SCI-Expanded 14 atıf
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Makale Bilgileri

Dergi Journal of Molecular Structure
ISSN00222860
Yayın TarihiMart 2023
Cilt / Sayfa1276
DOI10.1016/j.molstruc.2022.134699
Scopus ID2-s2.0-85144074339
Özet In this work, new 3,5-disubstituted-1,2,4-oxadiazoles were synthesized efficiently and evaluated for their inhibitory effects on human carbonic anhydrase (hCA) I and II. Most of them were more potent on hCAs than acetazolamide (AAZ). Compounds 10d and 17d were the most potent compounds on hCA I with IC50 values of 0.68 and 0.96 µM, respectively. Compounds 7d, 17d, 10d, and 3d were the most effective hCA II inhibitors with IC50 values of 0.40, 0.40, 0.65 and 0.71 µM. Molecular docking studies revealed that compounds 10d and 17d displayed π-π stacking interactions with Phe91 in the active site of hCA I. Compounds 10d and 17d were capable of forming π-π stacking interaction with His94 and π-cation interaction with Phe131 in the active site of hCA II. The alkylamino groups of both compounds contributed to crucial interactions in the active site of hCA II. Based on in silico data, all compounds were predicted to have good oral bioavailability and drug-likeness. Compounds 10d and 17d can be considered as promising inhibitors of both hCAs. All compounds were examined for their cytotoxicity towards human prostate (DU 145) and breast (MDA-MB-231) cancer cell lines compared to human embryonic kidney 293 cells (HEK-293). The tested compounds showed not only dose- and time-dependent but also cancer cell-specific cytotoxicity. Compounds 6d-11d were the most potent agents on DU 145 cells, whereas the most effective compounds on MDA-MB-231 cells were 6d, 15d-18d. The results suggest that compound 6d may serve as a hit compound for further mechanistic studies.

Yazarlar (8)

1
Kaan Kucukoglu
ORCID: 0000-0001-8977-9775
2
Nagihan Faydali
ORCID: 0000-0002-8895-1825
3
Dilek Bul
4
Hayrunnisa Nadaroglu
5
Belgin Sever
ORCID: 0000-0003-4847-9711
6
Mehlika Dilek Altıntop
ORCID: 0000-0002-8159-663X
7
Bahadır Öztürk
8
Ilkay Guzel

Anahtar Kelimeler

1,2,4-Oxadiazole Carbonic anhydrase Cytotoxic activity Molecular docking

Kurumlar

Anadolu Üniversitesi
Eskisehir Turkey
Atatürk Üniversitesi
Erzurum Turkey
Selçuk Üniversitesi
Selçuklu Turkey
Scimago Dergi (ISSN Eşleşmesi)
Journal of Molecular Structure
Q2
SJR Skoru0,628
H-Index134
YayıncıElsevier B.V.
ÜlkeNetherlands
Analytical Chemistry (Q2)
Inorganic Chemistry (Q2)
Organic Chemistry (Q2)
Spectroscopy (Q2)
Dergi sayfasına git

Metrikler

12
Atıf
8
Yazar
4
Anahtar Kelime

Sistemimizdeki Yazarlar

NF
NAGİHAN FAYDALI
Dr. Öğr. Üyesi

Hızlı Erişim

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