Abstract
The extraction and determination of alkaloids was performed and confirmed by phytochemical analysis. Six different quinazoline alkaloids (vasicoline, vasicolinone, vasicinone, vasicine, adhatodine and anisotine) were found in the leaf of Justicia adhatoda (J. adhatoda). The presence of the peaks obtained through HPLC indicated the diverse nature of alkaloid present in the leaf. The enzyme β-ketoacyl-acyl-carrier protein synthase III that catalyses the initial step of fatty acid biosynthesis (FabH) via a type II fatty acid synthase has unique structural features and universal occurrence in Mycobacterium tuberculosis (M. tuberculosis). Thus, it was considered as a target for designing of anti-tuberculosis compounds. Docking simulations were conducted on the above alkaloids derived from J. adhatoda. The combination of docking/scoring provided interesting insights into the binding of different inhibitors and their activity. These results will be useful for designing inhibitors for M. tuberculosis and also will be a good starting point for natural plant-based pharmaceutical chemistry.
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References
World Health Organization (2010). The world health report 2010/2011. Geneva, Switzerland.
Jarlier, V., & Nikaido, H. (1994). FEMS Microbiology Letters, 123, 11–18.
Nikaido, H., & Jarlier, V. (1991). Research in Microbiology, 142, 437–443.
Smith, S., Witkowski, A., & Joshi, A. K. (2003). Progress in Lipid Research, 42, 289–317.
Kremer, L., Nampoothiri, K. M., Lesjean, S., Dover, L. G., Graham, S., Betts, J., et al. (2001). Journal of Biological Chemistry, 276, 27967–27974.
Bhatt, A., Molle, V., Besra, G. S., Jacobs, W. R., & Kremer, L. (2007). Molecular Microbiology, 64(6), 1442–1454.
Kaye, K., & Frieden, T. R. (1996). Epidemiology Reviews, 18, 52–63.
Centers for Disease Control and Prevention (2006). Morbidity mortality weekly report 55, 301–305.
Kremer, L., & Besra, G. S. (1999). In Recent Research and Development of Antimicrobial Agents and Chemotherapy, 3, 453–470.
Claeson, U. P., & Malmfors, T. (2000). Journal of Ethnopharmacology, 72, 01–20.
Dhuley, J. N. (1999). Journal of Ethnopharmacology, 67, 361–365.
Chatterjee, S. (1999). Indian Journal of Physiology and Pharmacology, 43, 486–490.
Mahato, R. B., & Chaudhary, R. P. (2005). Scientific World, 3, 26–31.
Singh, A. (1997). Theraputic monograph—Adhatoda vasica (pp. 25–45). Mohali: Ind-swift Ltd.
Srivastava, S., Verma, R. K., Gupta, M. M., Singh, S. C., & Kumar, S. (2001). Journal of Liquid Chromatography & Related Technologies, 24(2), 153–159.
Bhide, M. B., Naik, P. Y., & Ghooi, R. B. (1976). Bulletin of Haffkine Institute, 4, 43–50.
Bhide, M. B., Naik, P. Y., Ghooi, R. B., Mahajani, S. S., & Joshi, R. S. (1974). Bulletin of Haffkine Institute, 2, 6–11.
Kokate, C. K., Purohit, A. P., & Gokhale, S. B. (2003). Pharmacognosys (2nd ed., pp. 522–523). Pune: Nirali prakashan.
Harborne, J. B., & Williams, C. A. (2000). Phytochemistry, 55, 481–485.
Evans, W. C. (1997). Trease and evans pharmacognosy (14th ed.). Singapore: Harcourt Brace and Company. Asia Pvt Ltd.
Wagner, H. (1993). Pharmazeutische biologie, 5th edn. AUFI.15 BN 3-437-20 498-X. Gustav fisher Vwelag, Stuttgart, Germany.
Suchomelová, J., Bochořáková, H., Paulová, H., Musil, P., & Táborská, E. (2007). Journal of Pharmaceutical and Biomedical Analysis, 44, 283–287.
Brown, A. K., Sridharan, S., Kremer, L., Lindenberg, S., & Dover, L. G. (2005). Journal of Biological Chemistry, 280, 32539–32547.
Choi, K. H., Kremer, L., Besra, G. S., & Rock, C. O. (2000). Journal of Biological Chemistry, 275, 28201–28207.
Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., et al. (2000). Nucleic Acid Research, 28, 235–242.
Wang, Y., Xiao, J., Suzek, T. O., Zhang, J., Wang, J., & Bryant, S. H. (2009). Nucleic Acid Research, 37, W623–W633.
Gasteiger, J., Rudolph, C., & Sadowski, J. (1990). Tetrahedron Computer Methodology, 3(6), 537–547. Part3.
Riede, H. L. (2009). Lancet, 373(9670), 1148–1149.
Yendapally, R., & Lee, R. E. (2008). Bioorganic Medicinal Chemistry Letters, 18(5), 1607–1611.
Hong Kong Chest Service, Medical Research Council. (1981). Lancet, 1(8213), 171–174.
Duhovny, D., Inbar, Y., Nussinov, R., & Wolfson, H. (2005). Nucleic Acids Research, 33, W363–W367.
Duhovny, D., Nussinov, R., & Wolfson, H. (2002). Lecture Notes in Computer Science, 2452, 185–200. Springer Verlag.
Mustard, D., & Ritchie, D. W. (2005). Proteins: Structure, Function and Bioinformatics, 60(2), 269–274.
Ritchie, D. W. (2003). Proteins: Structure, Function and Genetics, 52, 98–106.
Ritchie, D. W., & Kemp, G. J. L. (2000). Proteins: Structure, Function and Genetics, 39, 178–194.
Sanner, M. F. (1999). Journal of Molecular Graphics and Modelling, 17, 57–61.
Morris, G. M., Goodsell, D. S., Halliday, R. S., Huey, R., Hart, W. E., Belew, R. K., et al. (1998). Journal of Computational Chemistry, 19, 1639–1662.
Solis, F. J., & Wets, R. J. B. (1981). Mathematics of Operations Research, 6, 19–30.
Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. C. (1997). Advanced Drug Delivery Reviews, 46(1–3), 3–26.
Tetko, I. V., Gasteiger, J., Todeschini, R., Mauri, A., Livingstone, D., Ertl, P., et al. (2005). Journal of Computer Aided Molecular Design, 19, 453–463.
Jarrahpour, A., Fathi, J., Mimouni, M., Hadda, B. T., Sheikh, J., Chohan, Z. H., et al. (2011). Medicinal Chemistry Research, 19(7), 1–7.
Ghose, A. k., Viswanadhan, V. N., & Wendoloski, J. J. (1999). Journal of Combinatorial Chemistry, 1(1), 55–68.
Acknowledgment
Dr. Anand Anbarasu gratefully acknowledges the Indian council of Medical Research (ICMR), Government of India Agency for the research grant IRIS ID: 2011-03260. P. Lavanya thanks ICMR for the Research fellowship from the grant IRIS ID: 2011-03260. The authors would also like to thank the management of VIT University for providing the necessary facilities to carry out this research project.
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The authors declare that there is no conflict of interest.
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Jha, D.K., Panda, L., Lavanya, P. et al. Detection and Confirmation of Alkaloids in Leaves of Justicia adhatoda and Bioinformatics Approach to Elicit Its Anti-tuberculosis Activity. Appl Biochem Biotechnol 168, 980–990 (2012). https://doi.org/10.1007/s12010-012-9834-1
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DOI: https://doi.org/10.1007/s12010-012-9834-1