Synthesis, Characterization and Molecular Docking Studies of Mn (II) Complex of Sulfathiazole
Keywords:Sulfathiazole, Spectra Bacteria, Complex, Docking
Sulfathiazole (SFTZ) is an antibacterial drug that contains the organosulfur compounds. It is used as a short-acting sulfa drug. The metal complexes of sulfa-drug have gained considerable importance due to their pronounced biological activity. The sulfa-drugs have received great attention because of their therapeutic applications against bacterial infections. Mn(II) complex of sulfathiazole was synthesized by the reaction of sulfathiazole with MnCl2.4H2O. The Mn (II) complex was characterized based on UV, IR, 1H NMR Spectroscopy and x-ray powder diffraction. The electronic spectrum of the ligand showed intra charge transfer which was assigned to the chromophores present in the ligand, while that of the complex suggested intra ligand charge transfer (ILCT) and ligand to metal charge transfer (LMCT). In the IR spectrum of sulfathiazole, the N-H stretch of SO2NH appeared at 3255.23 cm-1. In the IR spectrum of the metal complex, this band was absent. This suggested the deprotonation of the N-H of SO2NH during the complexation reaction. This showed that sulfathiazole acted as a monodentate ligand. 1H NMR spectrum of [Mn(SFTZ)] complex showed the involvement of the nitrogen atom of SO2NH. The crystal structure of [Mn(SFTZ)] complex belongs to monoclinic system, space group P1, with cell parameters of a= 4.519Å, b = 8.704Å, c = 12.608Å, V = 493.5Å3, ? = 95.69º. Molecular docking suggested that the ligand/complex bonded effectively with the E.coli and S.aureus because their global binding energies were negative. The binding interactions of ligand/complex with E. coli and S. aureus were predicted. Molecular docking predicted the feasibility of the biochemical reactions before experimental investigation. It was concluded that sulfathiazole behaved as a monodentate ligand towards Mn (II) ion. The binding energy and interaction of [Mn(SFTZ)] with E.coli and S. aureus have also shown that inhibition of the bacterial species is feasible. The mechanism of action of [Mn(SFTZ)] with E. coli and S. aureus is now well understood.
G. M. H. Golzar, ``Synthesis and characterisation of cobalt complex of sulfathiazole with acetic acid", J. Saudi Chemical Society 17 (2013) 253.
B. Sebastian, H. Estela, T. Marcela, R. Marcela, S. Emma, S. Mirna & M. Virtudes, “The interaction between mercury(II) and sulfathiazol”, Quim. Nova 26 (2003) 2.
A. B. Corradi, E. Gozzoli, L. Menabue, M. Saladini, L. P. Battaglia & P. Sgarabotto, “Palladium(II) complexes of N-sulfonylamino acids. Part 1. Solid-state behaviour of binary andternary 2,2’-bipyridine-containing systems”’, J. Chemical. Society Dalton Trans (1994) 273.
T. N. Drebushchak, E. V. Boldyreva & M. A. Mikhailenko, “Crystal structures of sulfathiazole polymorphs in the temperature range 100 K: A comparative analysis”, Journal of Structural Chemistry 49 (2008) 84.
J. Casanova, G. Alzuet, S. Ferrer, J. Borr´as, S. Garc´ıa-Granda & E Perez-Carreno, “Synthesis and characterisation of cobalt complex of sulfathiazole with acetic acid”, Journal of Inorganic. Biochemistry 51 (1993) 689.
F. Blasco, L. Perello, J. Latorre, J. Borras & S. Garcia-Granda, “Cobalt(II), Nickel(II), and Copper(II) complexes of sulfanilamide derivatives: Synthesis, spectroscopic studies, and antibacterial activity, Journal of Inorganic. Biochemistry 61 (1996) 143.
C. Pieter, A. Bruijnincx & P. J. Sadler, “New Trends for Metal Complexes with Anticancer Activity”, Curr. Opin. Chem. Biol 12 (2) (2008) 197.
P. B. Tchounwou, C. G. Yedjou, A.K. Patlolla & D. J. Sutton, “Heavy Metal Toxicity and the Environment”, Springer 101 (2012) 133.
J. J. Silva & R. JWilliams, The Biological Chemistry of the Elements, The Inorganic Chemistry of Life, (2nd ed.) Oxford University Press, London (2001) 20.
C. Spinu, M. Pleniceanu & C. Tigae, “Biologically activetransition metal chelates with 2- thiophene carboxaldehyde- Derived Schi base: Synthesis, characterization and antibacterial properties”, Turkish Journal of Chemistry 32 (2008) 487.
B. K. Singh, H. K. Rajour & A. Prakash, “Synthesis, characterization and biological activity of transition metal complexes with Schiff bases derived from 2-nitrobenzaldehyde with glycine and methionine”, Spectrochimica Acta A 94 (2012) 143.
V. Singh, N. K. Kaushik & R. Singh “Metallosulphadrugs: Synthesis and Bioactivity”, Asian Journal of Research in Chemistry 4 (2011) 339.
G. Vellaiswamy & S. Ramaswamy, “Synthesis, spectral characterization and antimicrobial screening of Novel Schi bases from sulfa drugs”, International Journal of Pharmacy and Pharmaceutical Sciences 6 (2014) 487.
D. M. Boghaei & S. Mohebi, “Non-symmetrical tetradentate vanadyl Schiff base derived from 1, 2, phenylenediamine and 1,3- naphthalene diamine as catalysts for the oxidation of cyclohexene”, Tetrahedron 58 (2002) 5357.
G. Valarmathy & R. Subbalakshmi, “Synthesis, spectral characterization of biologically active Novel Schi base complexes derived from 2- sulphanilamidopyridine”, International Journal of Pharmaceutical and Biological Sciences 4 (2013) 1019.
A. Budakoti, M. Abid & A. Azam, “Synthesis and antiamoebic activity of new 1-N- substituted thiocarbamoyl- 3-5 diphenyl-2- pyrazoline derivatives and their Pd (II) complexes”, European Journal of Medicinal Chemistry 41 (2006) 63.
V. X. Jin, S. I. Tan & J. D. Ranford, “Platinum (II) triammine antitumor complexes; structure- activity relationship with guanosine 5’- monophosphate (5’ GMP)”, Inorganic Chimica Acta 358 (2005) 677.
M. R. Caira, “Molecular complexes of sulfonamides. 2.1:1 complexes between drug molecules: Sulfadimidine-acetylsalicylic acid and sulfadimidine-4-aminosalicylic acid”, Journal of Chemical Crystallography 22 (1992) 193.
R. M. Issa, S. A. Azim, A. M. Khedr & D. F. Draz, Synthesis, “Characterization, thermal and antimicrobial studies of binuclear metal complexes of Sulfa-guanidine Schi bases”, Journal of Coordination Chemistry 62 (2009) 1859.
G. H. Jeffery, J. Bassett & R. C. Denney, Vogel’s Text book of Quantitative Chemical Analysis (5th Ed.), Pearson Education Publisher, Singapore, (1989) 473
H. Julia, N. Bormio, E. F. P. Raphael, C. Alexandre, R. L. Wilton & P. C. Pedro ,“Silver complexes with sulfathiazole and sulfamethoxazole: synthesis, spectroscopic characterization, crystal structure and antibacterial assays”, Polyhedron, 85 (2015) 437.
R. M. A. Knegtel, I. D. Kuntz & C. M. Oshiro, “Molecular docking to ensembles of protein structures”, Journal of Molecular Biology 266 (1997) 424.
O. V. Ikpeazu, K. K. Igwe & I. E. Otuokere, "In Silico-Activity Relationship of Monosubstitutted Doxycyline with Pseodomonas Aereginosa Lipase", IJAEMS (2017) 233
N. Andrusier, R. Nussinov & H. J. Wolfson, “FireDock: Fast interaction refinement in molecular docking", Proteins, 69 (2007) 139.
E. Mashiach, D. Schneidman-Duhovny, N. Andrusier, R. Nussinov, H. J. Wolfson, “FireDock: a web server for fast interaction refinement in molecular docking”, Nucleic Acids Res 36 (2008) 29.
M. Zacharias “Accounting for conformational changes during proteinprotein docking”, Current Opin Structural Biology 20 (2010) 180
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