Computational Studies of Some Hydrazone Derivatives as Antibacterial Agent: DFT and Docking Methods
Abel Oyebamiji, B. Benjamin Adeleke, Ajibade Adejoro, Oyedeji Folashade
J. Pure App. Chem. Res. Vol 8, No 1 (2019), pp. 1-6
Submitted: August 03, 2018     Accepted: January 20, 2019     Published: January 20, 2019

Abstract


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Quantum chemical calculations through density functional theory and docking study were carried out on a set of seven hydrazones and S. aureus cell line (4b19) so as to observe their inhibitory abilities of hydrazones. Many parameters which describe the anti-S. aureus were evaluated. All the compounds under study were docked against S. aureus cell line as receptors and the resulting binding energies reflected the extent of their binding affinities. 2,4-dinitrophenylhydrazone of formaldehyde showed the highest binding affinity.

Keywords : Hydrazone derivatives, S. aureus, DFT, Docking
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References


[1]. Praven KAR, Mahendra I, Durgesh Kumar Anil Kumar Sahdev and Vinit Raj, EC Pharmaceutical sci., 2016, 23, 278-306.

[2]. Ghazy SE, Rakha TH, El-Kady EH, El-Asmy AA, Ind. J. Chem. Tech-nol 2000, 7, 178-182.

[3]. Kabil MM, Akl MA, Khalifa ME, Anal Sci (Jpn), 1999, 15,433-438.

[4]. Khalifa ME, Anal Fr, 1995, 23, 453-466.

[5]. Jackson SH, Shepherd AM, Ludden TM, Janieson MJ, Woodworth J, Rogers D, Ludden LK, Muir KT, J Cardiovasc Pharmacol., 1990, 16(4), 624-628.

[6]. Abdelkarim AT, International Journal of Pharma Sci. 2015, 5(1), 839-851.

[7]. Sridhar SK, Saravanan M, Ramesh A, Eur. J. Med. Chem., 2001, 36(6-8), 615-25.

[8]. Joseph N. Yong, Peter F. Asobo, Kennedy D. Nyongbela, Romanus N. Njong and Oswald N. Nfor, American Chemical Science J., 2016, 14(3), 1-10. Article no.ACSJ.26059.

[9]. Jain AN, Current Protein Peptide Sci., 2006, 7(5), 407-420.

[10]. Taylor RD, Jewsbury PJ, Essex JW, J. of Computer-Aided Mol. Des., 2002, 16, 151-166.

[11]. Becke AD, J. of phy Chem., 1993, 98, 5648 – 5652.

[12]. Lee C, Yang W, Parr RG, Phys Rev B., 1988, 37,785.

[13]. Spartan 14, Wavefunction, INC, Irvine CA 92612, USA.

[14]. Mu J-X, Yang M-Y, Sun Z-H, Tan C-X, Weng J-Q, Wu H-K, Liu X-H, Crystals, 2015, 5(4):491-500. [DOI: 10.3390/cryst5040491].

[15]. Mu J-X, Zhai Z-W, Yang M-Y, Sun Z-H, Wu H-K, Liu X-H, Crystals, 2016, 6:4. [DOI: 10.3390/cryst6010004].

[16]. Oyebamiji Abel Kolawole and Semire Banjo, Bulletin of Pharmaceutical Res., 2017, 7(3), 148.

[17]. Abass K, Reponen P, Mattila S, Pelkonen O, Xenobiotica, 2011, 41(2), 101-11. [DOI: 10.3109/00498254.2010.528066].

[18]. Meanwell NA, J. Med. Chem., 2011, 54(8):2529-91. [DOI: 10.1021/jm1013693].

[19]. van de Waterbeemd H, Camenisch G, Folkers G, Chretien JR, Raevsky OA, J Drug Target, 1998, 6(2), 151-165. [DOI:10.3109/10611869808997889].

[20]. Kelder J, Grootenhuis P.D, Bayada D.M, Delbressine LP, Ploemen JP, Pharm. Res., 1999, 16(10), 1514-9. [DOI:10.1023/a:1015040217741].

[21]. Oyebamiji Abel K and Semire Banjo, Der Pharma Chemica, 2018, 10(3), 135-139.

[22]. Sayed N, Nonin-Lecomte S, Rety S, Felden B, J. Biol. Chem., 2012, 287(52):43454-63. [DOI: 10.1074/jbc.M112.402693].


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