Browsing by Author "Velmurugan, R"

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CO(II) COMPLEX OF 2-AMINO-6-METHYLBENZOTHIAZOLE: SYNTHESIS, STRUCTURE AND BIOLOGICAL EVALUATION
(Indian Journal of Chemistry, 2016-11) Jone Kirubavathy, S; Velmurugan, R; Karvembu, R; Bhuvanesh, N S P; Enoch, I V M V; Mosae Selvakumar, P; Chitra, S
Cobalt(II) complex of 2-amino-6-methylbenzothiazole has been synthesized and characterized by various physicochemical methods. The ligand 2-amino-6-methylbenzothiazole acts as monodentate, neutral ligand with N as the donor site. The molecular structure of the title complex has been determined by single crystal X-ray diffraction studies. The Co(II) complex shows significant antioxidant activity against DPPH radical. The complex shows cytotoxicity with a IC50 value of 14.12 µM against MCF-7 cell line. In addition, the complex shows good antimicrobial and anti-tuberculosis activities against various microbes and mycobacterium tuberculosis respectively. DNA binding of the title complex has been investigated by absorption spectroscopic technique, which reveals that the complex acts as minor groove binder. These results have been validated by molecular docking studies
STRUCTURAL AND MOLECULAR DOCKING STUDIES OF BIOLOGICALLY ACTIVE MERCAPTOPYRIMIDINE SCHIFF BASES
(Elsevier, 2017-01-05) Jone Kirubavathy, S; Velmurugan, R; Karvembu, R; Bhuvanesh, N S P; Israel V M V, Enoch; Mosae Selvakumar, P; Premnath, D; Chitra, S
Novel Schiff bases derived from the treatment of mercapto-diamino pyrimidine with two different aldehydes are characterized using elemental analysis, single crystal X-ray diffraction and 1H NMR spectroscopy. The pharmacological action of the synthesized compounds viz., antimicrobial, anticancer and antitubercular activities is studied. The Schiff bases show a very good activity against various test pathogens. DNA and β-CD binding interactions of the compounds are studied using UV–Visible absorption and fluorescence spectral measurements. The binding constants of the compounds towards β-CD are in the order of 103 to 104. Molecular docking is done using MOE program on the 3D structure of the enzymes, viz., human thymidylate synthase complexed with dump and raltitrex, candida albicans N-myristoyltransferasepeptidic inhibitor, catalytic domain of protein kinase pKnb from mycobacterium tuberculosis in complex with mitoxantrone, pare, topoisomerase atpase inhibitor, E. coli and lactobacillus casdihydrofolatereductase. The MIC/IC50 values of the Schiff bases are compared with the glide scores from the molecular docking studies. The number of hydrogen bonding interactions between the Schiff bases and amino acid residues are also reported.
SYNTHESIS, CHARACTERIZATION, SINGLE CRYSTAL XRD, IN VITRO ANTIMICROBIAL AND CYTOTOXICITY STUDY OF TRIS(ETHYLENEDIAMINE)COBALT(III)CHLORIDE OXALATE TRIHYDRATE
(Elsevier, 2019-11) Jone Kirubavathy, S; Velmurugan, R; Parameswari, K; Chitra, S
The complex tris(ethylenediamine)cobalt(III)chloride oxalate trihydrate [Co(en)3]Cl(C2O4)·3H2O crystallizes in the monoclinic space group C2/c with the following unit cell parameters a = 19.9318 (13), b = 9.3344 (4), c = 19.0881 (13) Å β = 96.846(3)°, Z = 8. The crystal structure was solved by direct methods and refined by full matrix least squares procedures to a final R value of 0.0314 for 4330 observed reflections. The reported cobalt complex is six co-ordinated through amine nitrogen with distorted octahedral geometry. There are uncoordinated chloride and oxalate ions along with the water molecules. In-vitro antimicrobial activity was studied against various test organisms and found to be good. From in-vitro cytotoxic activity of the synthesized complex, the IC50 value was found to be 55.85 μg/ml.
SYNTHESIS, CHARACTERIZATION, SINGLE-CRYSTAL XRD, AND BIOLOGICAL EVALUATION OF NICKEL(II) SALEN SULFADIAZINE COMPLEX
(Taylor & Francis Online, 2016) Jone Kirubavathy, S; Velmurugan, R; Tamilarasan, B; Karvembu, R; Bhuvanesh, N S P; Chitra, S
Nickel(II) salen sulfadiazine complex was prepared and characterised by the spectral studies such as FT-IR, UV-Vis and NMR, and single-crystal XRD. The nickel(II) complex was screened for in vitro antimicrobial activities against various test organisms Aeromonas hydrophila, Serratia marcescens, Bacillus licheniform, Pseudomonas aeruginosa, Acinetobacter baumanii, Aspergillus niger, and Candida albicans by the well diffusion method and in vitro anticancer activity against the human breast cancer cell line HeLa. The NiO obtained by the thermal decomposition of Ni (salen) sulfadiazine complex was characterised using TEM images and their SAED pattern
SYNTHESIS, STRUCTURE, AND PHARMACOLOGICAL EVALUATION OF CO(III) COMPLEX CONTAINING TRIDENTATE SCHIFF BASE LIGAND
(Springer Link, 2015-04-07) Jone Kirubavathy, S; Velmurugan, R; Karvembu, R; Bhuvanesh, N S P; Parameswari, K; Chitra, S
A Co(III) Schiff base complex with the formula [Co(L)2]Cl · H2O (I) (L = monoanionic tridentate Schiff base ligand derived from salicylaldehyde and ethylene diamine) has been synthesized and characterized by elemental analysis and spectroscopic techniques. The structure of I was confirmed by single crystal X-ray diffraction studies (CIF file CCDC no. 1009967), which showed the presence of two Schiff base molecules in an octahedral fashion. The complex has been screened for its in vitro antibacterial and anticancer activities. Complex I was found to be more active in anti-microbial and anti-cancer activity than the ligand.