Virtual screening and docking studies of identified potential drug target: polysaccharide deacetylase in Bacillus anthracis

• Autorzy: Zaveri K. , Chaitanya A. K. , Reddy I. B.
• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

virtual screening; drug target; polysaccharide deacetylase; Bacillus anthracis

• Wydawca: -
• Czasopismo: International Letters of Natural Sciences
• Rocznik: 2015
• Tom: 07
• Opis fizyczny: p.70-77,fig.,ref.

Twórcy

autor

Zaveri K.

• Department of Biochemistry and Bioinformatics, Institute of Science, GITAM University, Visakhapatnam - 530 045, Andhra Pradesh, India

autor

Chaitanya A. K.

• Department of Biochemistry and Bioinformatics, Institute of Science, GITAM University, Visakhapatnam - 530 045, Andhra Pradesh, India

autor

Reddy I. B.

• Department of Biochemistry and Bioinformatics, Institute of Science, GITAM University, Visakhapatnam - 530 045, Andhra Pradesh, India

Bibliografia

• [1] Cheng T, Li Q, Zhou Z, Wang Y, and Stephen HB. The AAPS Journal; (2012), 14(1):133-141
• [2] Milena L. International Scientific Conference Computer Science; (2008)
• [3] Mary EP, Mary JP, Fabian C, Stephen EP, Angel AC. Argentina J Microbiol (2011);43(4):294-310.
• [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
• [5] Sirard JC, Mock M, Fouet A, J Bacteriol (1994);176(16):5188-5192
• [6] Stefan Riedel.. Proc (Bayl Univ Med Cent) (2005);18(3): 234–243.
• [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.
• [8] Hosen MI, Tanmoy AM, Mahbuba DA, Salma U, Nazim M, Islam MT, Akhteruzzaman S.. Interdiscip Sci. (2014) ;6(1):48-56.
• [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.
• [10] The UniProt Consortium. Activities at the Universal Protein Resource (UniProt). Nucl Acids Res (2014) ;42: 191-198.
• [11] Hao Luo, Yan Lin, Feng Gao, Chun-Ting Zhang and Ren Zhang. Nucl Acids Res (2013); 42;574-580.
• [12] Altschul SF, Gish W, Miller W, Myers EW & Lipman DJ. J. Mol. Biol. (1990); 215:403-410.
• [13] Joe Dundas, Zheng Ouyang, Jeffery Tseng, Andrew Binkowski, Yaron Turpaz, and Jie Liang..Nucl. Acids Res (2006) ;34:116-118.
• [14] Wolf LK. C&EN (2009) ;87:32.
• [15] Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS and Olson AJ. J. Comp Chem (2009);16:2785-91.