Virtual Screening and Docking Studies of Identified Potential Drug Target: Polysaccharide Deacetylase in Bacillus anthracis

Article Preview

Abstract:

In recent years, insilico approaches have been predicting novel drug targets. The present day development in pharmaceutics mainly ponders on target based drugs and this has been aided by structure based drug designing and subtractive genomics. In the present study, the computational genome subtraction methodology was applied for identification of novel, potential drug target against Bacillus anthracis, cause of deadly anthrax. The potential drug target identified through subtractive genomics approach was considered as polysaccharide deacetylase. By virtual screening against NCI database and Drugbank chemical libraries, two potential lead molecules were predicted. Further the potential lead molecules and target protein were subjected for docking studies using Autodock.

Info:

Pages:

70-77

Citation:

Online since:

February 2015

Export:

Share:

Citation:

* - Corresponding Author

[1] Cheng T, Li Q, Zhou Z, Wang Y, and Stephen HB. The AAPS Journal; (2012), 14(1):133-141

Google Scholar

[2] Milena L. International Scientific Conference Computer Science; (2008)

Google Scholar

[3] Mary EP, Mary JP, Fabian C, Stephen EP, Angel AC. Argentina J Microbiol (2011);43(4):294-310.

Google Scholar

[4] Erlendur Helgason, Ole Andreas Okstad, Dominique AC, Henning A. Johansen, Agnes fouet, Miche´ le Mock, Ida Hegna, and Anne-brit kolsto. Appli and Env Microbiolo (2000) ;2627-2630

Google Scholar

[5] Sirard JC, Mock M, Fouet A, J Bacteriol (1994);176(16):5188-5192

Google Scholar

[6] Stefan Riedel.. Proc (Bayl Univ Med Cent) (2005);18(3): 234–243.

Google Scholar

[7] Xingyu Lin, Xi-Ping Huang, Gang Chen, Ryan Whaley, Shiming Peng, Yanli Wang, Guoliang Zhang, Simon X. Wang, Shaohui Wang, Bryan L. Roth, and Niu Huang. J Med Chem (2012) ;55(12):5749–5759.

DOI: 10.1021/jm300338m

Google Scholar

[8] Hosen MI, Tanmoy AM, Mahbuba DA, Salma U, Nazim M, Islam MT, Akhteruzzaman S.. Interdiscip Sci. (2014) ;6(1):48-56.

DOI: 10.1007/s12539-014-0188-y

Google Scholar

[9] Lu Chen, John K. Morrow, Hoang T. Tran, Sharangdhar S. Phatak, Lei Du-Cuny, and Shuxing Zhang. Curr Pharm Des. (2012) ;18 (9):1217–1239.

Google Scholar

[10] The UniProt Consortium. Activities at the Universal Protein Resource (UniProt). Nucl Acids Res (2014) ;42: 191-198.

DOI: 10.1093/nar/gku469

Google Scholar

[11] Hao Luo, Yan Lin, Feng Gao, Chun-Ting Zhang and Ren Zhang. Nucl Acids Res (2013); 42;574-580.

Google Scholar

[12] Altschul SF, Gish W, Miller W, Myers EW & Lipman DJ. J. Mol. Biol. (1990); 215:403-410.

Google Scholar

[13] Joe Dundas, Zheng Ouyang, Jeffery Tseng, Andrew Binkowski, Yaron Turpaz, and Jie Liang..Nucl. Acids Res (2006) ;34:116-118.

Google Scholar

[14] Wolf LK. C&EN (2009) ;87:32.

Google Scholar

[15] Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS and Olson AJ. J. Comp Chem (2009);16:2785-91. ( Received 29 January 2015; accepted 08 February 2015 )

DOI: 10.1002/jcc.21256

Google Scholar