European Journal of Chemistry

Green synthesis of novel pyrazole containing Schiff base derivatives as antibacterial agents on the bases of in-vitro and DFT

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Salman Ahmad Khan
Abdullah Mohamed Asiri
Abdulrhim Alabbas Basheike
Kamlesh Sharma


A series of pyrazole containing Schiff bases were synthesized, by the reaction of 3,5-dimethyl-1-phenylpyrazole-4-carboxaldehyde and the corresponding active amines under microwave irradiation. The structures of the synthesized compounds were established by spectroscopic data (FT-IR, 1H NMR, 13C NMR and ESI-MS) and elemental analyses. The anti-bacterial activity of these compounds were tested in vitro by the disc diffusion assay against two Gram-positive and two Gram-negative bacteria, and then the minimum inhibitory concentration using chloramphenicol as reference drug. All the molecules were modeled and optimized by using density functional theory, DFT/B3LYP method. Calculated descriptors, the lower unoccupied molecular orbital and the density were used to interpret the antibacterial activity of the compounds. The results showed that compound 3 is better inhibitor of both types of test bacteria as compared to chloramphenicol.


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How to Cite
Khan, S. A.; Asiri, A. M.; Basheike, A. A.; Sharma, K. Green Synthesis of Novel Pyrazole Containing Schiff Base Derivatives As Antibacterial Agents on the Bases of in-Vitro and DFT. Eur. J. Chem. 2013, 4, 454-458.

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[1]. Dore, J. C.; Lacroix, R. Eur. J. Med. Chem. 1987, 22, 109-117.

[2]. Johnson, P. J. Parasitol. Today 1993, 9, 183-186.

[3]. Zhang, W.; Berberoy, E. M.; Freeling, J.; He, D.; Moxley, R. A.; Francis, D. H. Infect. Immunol. 2006, 74, 3107-3114.
PMid:16714538 PMCid:PMC1479275

[4]. Pfaller, M. A.; Jones, N. R.; Doern, V. G.; Sader, S. H.; Kugler, C. K.; Beach, L. M. Diagn. Microbiol. Infect. Dis. 1999, 33, 283-297.

[5]. Sternbach, H.; State, R. Harv. Rev. Psychiatry. 1997, 5(4), 214-226.

[6]. Abunada, N. M.; Hassaneen, H. M.; Kandile, N. G.; Miqdad, O. A. Molecules 2008, 13, 1501-1517.

[7]. Reddy, C. S.; Devi, M. V.; Kumar, G. R.; Rao, L. S.; Nagaraj, A. Ind. J. Chem. 2011, 50B, 1181-1186.

[8]. Anandarajagopal, K.; Sunilson, J. A. J.; Illavarasu, A.; Thangavelpandian, N.; Kalirajan, R. Int. J. Chem. Tech Res. 2010, 2(1), 45-49.

[9]. Ahsan, M. J.; Samy, J. G.; Khalilullah, H.; Bakht, M. A.; Hassan, M. Z. Eur. J. Med. Chem. 2011, 46, 5694-5697.

[10]. Yang, J.; Cao, H.; Liu, H.; Lia, B.; Maa, Y. J. Chine. Chem. Soc. 2011, 58, 369-375.

[11]. Southan, G. J.; Gauld, D.; Lubeskie, A.; Zingarelli, B.; Cuzzocrea, S.; Salzman, A. L.; Szabo, C.; Wolff, D. J. Biochem. Pharma. 1997, 54, 409-417.

[12]. Karthikeyan, T.; Seelan, V.; Lalitha, K. G.; Perumal, P. T. Bioorg. Med. Chem. 2009, 19, 3370-3373.

[13]. Abdel-Aziz, M.; El-Din, G.; Abuo-Rahma, A.; Hassan, A. A. Eur. J. Med. Chem. 2009, 44, 3480-3487.

[14]. Bekhit, A. A.; Ashour, H. M. A.; Guemei, A. A. Arch. Pharm. Chem. Life Sci. 2005, 338, 167−174.

[15]. Arbaciauskiene, E.; Kazlauskas, K.; Miasojedovas, A.; Jursenas, S.; Jankauskas, V.; Holzer, W.; Getautis, V.; Sackus, A. Dyes Pigments, 2010, 85, 79-85.

[16]. Clays, K.; Coe, B. J. Chem. Mater. 2003, 15 (3), 642-648.

[17]. Kucybala, Z.; Pyszka, I.; Paczkowski, J. J. Chem. Soc., Perkin Trans. 2000, 2, 1559-1567.

[18]. Asiri, A. M.; Khan, S. A. Molecules, 2010, 15, 6850-6858.

[19]. Dedeian, K.; Shi, J.; Shepherd, N.; Forsythe, E.; Morton, D. C. Inorg. Chem. 2005, 44 (13), 4445-4447.

[20]. Asiri, A. M.; Khan, S. A. Molecules 2010, 15, 4784-4791.

[21]. Penta, S.; Vedula, R. R. Org. Commun. 2012, 5, 143-149.

[22]. Parikh, K. S.; Vyas, S. P. J. Chem. Pharm. Res. 2012, 4, 2681-2683.

[23]. Sunil, D.; Isloor, A. M.; Shetty, P.; Chandrakantha, B.; Satyamoorthy, K. Med. Chem. Res. 2011, 20, 1024-1032.

[24]. Youssef, A. M.; Neeland, E. G.; Villanueva, E. B.; White, M. S.; El-Ashmawy, I. M.; Klegeris, B. A.; Abd-El-Aziz, A. S. Biorg. Med. Chem. 2010, 18, 5685-5696.

[25]. Ratkovic, Z.; Juranic, Z. D.; Stanojkovic, T.; Manojlovic, D.; Vukicevic, R. D.; Radulovic, N.; Joksovic, M. D. Bioorg. Chem. 2010, 38, 26-32.

[26]. Asiri, A. M. Molbank 2003, 2003(3), M341.

[27]. Abdul-Rahman, R. M. Pharmazie 2001, 56, 275-284.

[28]. Sharma, K.; Lal, B. J. Steroid Biochem. Mol. Biol. 2008, 110, 278-283.

[29]. Sharma, K.; Mishra, S. B.; Mishra, A. K. Spectrochim. Acta A 2011, 79, 1493-1498.

[30]. Marwani, H.; Asiri, A. M.; Khan, S. A. Russ. J. Bioorg. Chem. 2012, 38, 533-538.

[31]. Khan, S. A.; Asiri, A. M. Chin. J. Chem. 2012, 30, 1901-1905.

[32]. Spartan'04 Version 1.0.3, Wavefunction, Inc. 18401 Von Karman Ave., Suite 370, Irvine, CA 92612, USA.

Supporting Agencies

Department of Chemistry and Center of Excellence for Advance Materials at King Abdulaziz University

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