Synthesis, spectroscopic characterization, DFT-D2 analysis and BSA binding studies of Co(II), Ni(II) and Cu(II) complexes with a novel Benzothiazole-based ligand

被引:0
作者
Kumar, Mohan [2 ,3 ]
Tomar, Deepak [2 ,4 ]
Chaurasia, Madhuri [1 ,2 ]
Kumari, Ashish [5 ]
Jogender, Sulekh
Chandra, Sulekh [1 ]
机构
[1] Univ Delhi, Zakir Husain Delhi Coll, Dept Chem, New Delhi, India
[2] Univ Delhi, Dept Chem, New Delhi, India
[3] SHRI VARSHNEY COLL, Dept Chem, ALIGARH, India
[4] RK PG Coll, Dept Chem, Shamli 247776, India
[5] DRDO, DRDE, Gwalior 474002, Madhya Pradesh, India
关键词
SCHIFF-BASE; CRYSTAL-STRUCTURE; METAL-COMPLEXES; DNA-BINDING; IN-SILICO; DERIVATIVES;
D O I
10.1007/s11243-025-00632-y
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
An equimolar mixture of 2-amino-6-methoxybenzothiazole and 2-hydroxy-4-methoxybenzaldehyde was used to produce a Schiff base ligand 5-methoxy-2-(((6-methoxybenzothiazol-2-yl)imino)methyl)phenol, HL, which was then examined by elemental analysis, IR, 1H NMR, 13C NMR and ESI-mass spectrometry. The Co(II), Ni(II) and Cu(II) chlorides, acetates and ligands were combined in ethanol in a molar ratio of 1:1 to create the metal complexes [1-C16H19CoClN2O6S, 2- C18H22CoN2O8S, 3- C16H15NiClN2O4S, 4- C18H18NiN2O6S, 5- C16H15CuClN2O4S and 6- C18H18CuN2O6S]. To identify the structure of all metal complexes 1-6, elemental analysis, molar conductance, electronic spectra and IR spectra were used. The ligand HL functions as an uninegative bidentate via phenolic O- and azomethine N- atoms, according to spectral data. Theoretical studies were performed to investigate the interaction between the metal ions and the ligand HL. This included analysis of the HOMO-LUMO gap to assess electronic properties, Hirshfeld charge distribution to understand electron density changes upon complexation and calculation of the binding energy to evaluate the stability of the metal-ligand complexes. The Co(II) complexes have been given an octahedral geometry, Ni(II) complexes a tetrahedral geometry and Cu(II) complexes a square planar geometry. Studies of the binding of the metal complex to bovine serum albumin (BSA) have been undertaken with the aid of fluorescence and circular dichroism spectrometry.
引用
收藏
页码:451 / 469
页数:19
相关论文
共 85 条
[1]   Synthesis, spectral characterization, antimicrobial evaluation and molecular docking studies on new metal complexes of novel Schiff base derived from 4,6-dihydroxy-1,3-phenylenediethanone [J].
Ahmed, Yasmin M. ;
Mohamed, Gehad G. .
JOURNAL OF MOLECULAR STRUCTURE, 2022, 1256
[2]   The Effect of Computerized Adaptive Testing on Motivation and Anxiety: A Systematic Review and Meta-Analysis [J].
Akhtar, Hanif ;
Silfiasari ;
Vekety, Boglarka ;
Kovacs, Kristof .
ASSESSMENT, 2023, 30 (05) :1379-1390
[3]   Chloro-benzothiazole Schiff base ester liquid crystals: synthesis and mesomorphic left-to-right markinvestigation [J].
Al-Hamdani, Uhood J. ;
Abbo, Hanna S. ;
Fadhl, Ayat A. ;
Titinchi, Salam J. J. .
LIQUID CRYSTALS, 2022, 49 (13) :1866-1877
[4]   Synthesis, characterization, and antipathogenic studies of some transition metal complexes with N,O-chelating Schiff's base ligand incorporating azo and sulfonamide Moieties [J].
Alaghaz, Abdel-Nasser M. A. ;
Bayoumi, Hoda A. ;
Ammar, Yousry A. ;
Aldhlmani, Sharah A. .
JOURNAL OF MOLECULAR STRUCTURE, 2013, 1035 :383-399
[5]   Synthesis, antibacterial, anticancer and molecular docking studies of macrocyclic metal complexes of dihydrazide and diketone [J].
Ali, Sabir ;
Singh, Vandna ;
Jain, Preeti ;
Tripathi, Vishwas .
JOURNAL OF SAUDI CHEMICAL SOCIETY, 2019, 23 (01) :52-60
[6]   Synthesis, characterization, and anticancer activity of some metal complexes with a new Schiff base ligand [J].
Alorini, Thamer A. ;
Al-Hakimi, Ahmed N. ;
Saeed, S. El-Sayed ;
Alhamzi, Ebtesam Hassan Lutf ;
Albadri, Abuzar E. A. E. .
ARABIAN JOURNAL OF CHEMISTRY, 2022, 15 (02)
[7]   Antibacterial and molecular docking studies of newly synthesized nucleosides and Schiff bases derived from sulfadimidines [J].
Amer, Hamada H. ;
Eldrehmy, Essam Hassan ;
Abdel-Hafez, Salama Mostafa ;
Alghamdi, Youssef Saeed ;
Hassan, Magdy Yassin ;
Alotaibi, Saad H. .
SCIENTIFIC REPORTS, 2021, 11 (01)
[8]   In vitro antifungal studies of Ruthenium (III) complex derived from chitosan Schiff bases [J].
Amirthaganesan, K. ;
Vadivel, T. ;
Dhamodaran, M. ;
Chandraboss, V. L. .
MATERIALS TODAY-PROCEEDINGS, 2022, 60 :1716-1720
[9]   Structural exploration of interactions of (+) catechin and (-) epicatechin with bovine serum albumin: Insights from molecular dynamics and spectroscopic methods [J].
Anitha, S. ;
Saranya, V ;
Shankar, R. ;
Sasirekha, V .
JOURNAL OF MOLECULAR LIQUIDS, 2022, 348
[10]   Progress of Metal-Based Anticancer Chemotherapeutic Agents in Last Two Decades and their Comprehensive Biological (DNA/RNA Binding, Cleavage and Cytotoxicity Activity) Studies [J].
Arjmand, Farukh ;
Yasir Khan, Huzaifa ;
Tabassum, Sartaj .
CHEMICAL RECORD, 2023, 23 (03)