• Türkçe
    • English
  • English 
    • Türkçe
    • English
  • Login
View Item 
  •   DSpace Home
  • Araştırma Çıktıları | TR-Dizin | WoS | Scopus | PubMed
  • WoS İndeksli Yayınlar Koleksiyonu
  • View Item
  •   DSpace Home
  • Araştırma Çıktıları | TR-Dizin | WoS | Scopus | PubMed
  • WoS İndeksli Yayınlar Koleksiyonu
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential alpha-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations

Date

2019

Author

Avci, Davut
Alturk, Sumeyye
Sonmez, Fatih
Tamer, Omer
Basoglu, Adil
Atalay, Yusuf
Dege, Necmi

Metadata

Show full item record

Abstract

A new dinuclear copper (II) complex of 2,5-furandicarboxyclic acid with 4(5)-methylimidazole, [Cu (FDCA)((4(5)MeI)(2)](2)center dot 2H(2)O, was synthesized, and its structure characterized by XRD, FT-IR and UV-Vis spectroscopic techniques. The alpha-glucosidase inhibition and cytotoxicity study of the synthesized Cu (II) complex were determined by IC50 values. The optimized geometry and vibrational harmonic frequencies for the Cu (II) complex were obtained by using Density Functional Theory (DFT) of HSEh1PBE/6-311++G(d,p)/LanL2DZ level. TD-DFT/HSEh1PBE/6-311++G(d,p)/LanL2DZ level with CPCM model was applied to examine the electronic spectral properties and major contributions were determined via Swizard program. To investigate linear and nonlinear optical behavior of the synthesized Cu (II) complex, the alpha, Delta alpha and chi((1))/beta, gamma and chi((3)) parameters called linear/nonlinear optical parameters in gas phase and ethanol solvent were computed at the same level and basis set. Furthermore, molecular electrostatic potential (MEP) surface was determined by using the same level. The docking study of the Cu (II) complex to the binding site of the target protein (the template structure S. cerevisiae isomaltase) is fulfilled. Natural bond orbital (NBO) analysis was used to investigate the hyperconjugative interactions, inter- and intra-molecular bonding and to determine coordination around Cu (II) ion. Finally, present work is the first remarkable scientific report of mixed-ligand (H(2)FDCA and 4(5)MeI) Cu (II) complex as novel drug candidate for DM II. It is also determined that microscopic third-NLO parameters for the Cu (II) complex is remarkable.

Source

Applied Organometallic Chemistry

Volume

33

Issue

3

URI

https://doi.org/10.1002/aoc.4725
https://hdl.handle.net/20.500.12712/10956

Collections

  • Scopus İndeksli Yayınlar Koleksiyonu [14046]
  • WoS İndeksli Yayınlar Koleksiyonu [12971]



DSpace software copyright © 2002-2015  DuraSpace
Contact Us | Send Feedback
Theme by 
@mire NV
 

 




| Policy | Guide | Contact |

DSpace@Ondokuz Mayıs

by OpenAIRE

Advanced Search

sherpa/romeo

Browse

All of DSpaceCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsTypeLanguageDepartmentCategoryPublisherAccess TypeInstitution AuthorThis CollectionBy Issue DateAuthorsTitlesSubjectsTypeLanguageDepartmentCategoryPublisherAccess TypeInstitution Author

My Account

LoginRegister

Statistics

View Google Analytics Statistics

DSpace software copyright © 2002-2015  DuraSpace
Contact Us | Send Feedback
Theme by 
@mire NV
 

 


|| Policy || Library || Ondokuz University || OAI-PMH ||

Ondokuz Mayıs University, Samsun, Turkey
If you find any errors in content, please contact:

Creative Commons License
Ondokuz University Institutional Repository is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 4.0 Unported License..

DSpace@Ondokuz Mayıs:


DSpace 6.2

tarafından İdeal DSpace hizmetleri çerçevesinde özelleştirilerek kurulmuştur.