Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, -Glucosidase nhibition and TD/DFT Study

被引：11
作者：
Alturk, Suemeyye [1 ]
Avci, Davut [1 ]
Kurt, Belma Zengin [2 ]
Tamer, Omer [1 ]
Basoglu, Adil [1 ]
Sonmez, Fatih [3 ]
Atalay, Yusuf [1 ]
Dege, Necmi [4 ]
机构：
[1] Sakarya Univ, Dept Phys, Fac Arts & Sci, TR-54187 Sakarya, Turkey
[2] Bezmialem Vakif Univ, Fac Pharm, Dept Pharmaceut Chem, TR-34093 Istanbul, Turkey
[3] Sakarya Univ, Dept Chem, Fac Arts & Sci, TR-54187 Sakarya, Turkey
[4] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Samsun, Turkey
来源：
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS | 2019年 / 29卷 / 04期
关键词：
6-Methylpyridine; 2-Carboxylic acid; 2-Picolinic acid; XRD; FT-IR and UV-Vis; TD/DFT; HSEh1PBE; alpha-Glucosidase; Molecular Docking; NONLINEAR-OPTICAL PROPERTIES; EFFECTIVE CORE POTENTIALS; ALPHA-GLUCOSIDASE; IN-VITRO; 6-METHYL-2-PYRIDINECARBOXYLIC ACID; SPECTROSCOPIC CHARACTERIZATION; MOLECULAR CALCULATIONS; SILVER(I) COMPLEXES; TRANSITION-METAL; VANADYL COMPLEX;
D O I：
10.1007/s10904-019-01090-7
中图分类号：
O63 [高分子化学（高聚物）];
学科分类号：
070305 ; 080501 ; 081704 ;
摘要：
Co(II) complexes of 2-picolinic acid (picH) and 6-methylpyridine-2-carboxylic acid (6-MepicH) {[Co(pic)(2)2H(2)O], (1), [Co(6-Mepic)(pic)2H(2)O], (2)} were obtained and their structural and spectroscopic properties were investigated by XRD, FT-IR and UV-Vis spectroscopic techniques. The measurement of -glucosidase inhibition of the synthesized complex 2 was fulfilled by IC50 values. In order to provide further explanations about the electronic spectral properties, TD-DFT calculations in ethanol solvent and gas phase were carried out. HSEh1PBE/6-311G(d,p) level has been used to calculate the nonlinear optics (NLO) parameters and frontier molecular orbital (FMO) energies. The experimental refractive indexes and optical band gap energies for the Co(II) complexes have been obtained using FT-IR and UV-Vis spectra, respectively. Lastly, the molecular docking study of Co(II) complexes was carried out in order to demonstrate interactions between the synthesized complexes and target protein (the template structure S. cerevisiae isomaltase). [GRAPHICS] .
引用
收藏
页码：1265 / 1279
页数：15
相关论文
共 69 条
  • [1] 1H-pyrazole-3-carboxylic acid: Experimental and computational study
    Alturk, Sumeyye
    Avci, Davut
    Tamer, Omer
    Atalay, Yusuf
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 2018, 1164 : 28 - 36
  • [2] Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV-Vis spectra, refractive index, band gap and NLO parameters
    Alturk, Sumeyye
    Avci, Davut
    Basoglu, Adil
    Tamer, Omer
    Atalay, Yusuf
    Dege, Necmi
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 190 : 220 - 230
  • [3] Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material
    Alturk, Sumeyye
    Avci, Davut
    Tamer, Omer
    Atalay, Yusuf
    [J]. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017, 1100 : 34 - 45
  • [4] A cobalt (II) complex with 6-methylpicolinate: Synthesis, characterization, second- and third-order nonlinear optical properties, and DFT calculations
    Alturk, Sumeyye
    Avci, Davut
    Tamer, Omer
    Atalay, Yusuf
    Sahin, Onur
    [J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2016, 98 : 71 - 80
  • [5] Synthesis, spectroscopic characterization, second and third-order nonlinear optical properties, and DFT calculations of a novel Mn(II) complex
    Alturk, Sumeyye
    Tamer, Omer
    Avci, Davut
    Atalay, Yusuf
    [J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2015, 797 : 110 - 119
  • [6] [Anonymous], 2004, INT J QUANT CHEM
  • [7] [Anonymous], J COORD CHEM, DOI [10.1080/00958977208072943, DOI 10.1080/00958977208072943]
  • [8] Three novel Cu(II), Cd(II) and Cr(III) complexes of 6-Methylpyridine-2-carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and α-Glucosidase inhibition studies
    Avci, Davut
    Alturk, Sumeyye
    Sonmez, Fatih
    Tamer, Omer
    Basoglu, Adil
    Atalay, Yusuf
    Kurt, Belma Zengin
    Dege, Necmi
    [J]. TETRAHEDRON, 2018, 74 (50) : 7198 - 7208
  • [9] Solvent effect in implicit/explicit model on FT-IR, 1H, 13C and 19F NMR, UV-vis and fluorescence spectra, linear, second- and third-nonlinear optical parameters of 2-(trifluoromethyl)benzoic acid: Experimental and computational study
    Avci, Davut
    Alturk, Sumeyye
    Tamer, Omer
    Kusbazoglu, Mustafa
    Atalay, Yusuf
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 2017, 1143 : 116 - 126
  • [10] Synthesis of pyrimidine-2,4,6-trione derivatives: Anti-oxidant, anti-cancer, α-glucosidase, β-glucuronidase inhibition and their molecular docking studies
    Barakat, Assem
    Islam, Mohammad Shahidul
    Al-Majid, Abdullah Mohammed
    Ghabbour, Hazem A.
    Yousuf, Sammer
    Ashraf, Mahwish
    Shaikh, Nimra Naveed
    Choudhary, M. Iqbal
    Khalil, Ruqaiya
    Ul-Haq, Zaheer
    [J]. BIOORGANIC CHEMISTRY, 2016, 68 : 72 - 79
1234567