Molecular modeling and docking studies of O-succinylbenzoate synthase of M. tuberculosis - A potential target for antituberculosis drug design

Applied Biochemistry and Biotechnology

Volumn 172, Issue 3, 2014, Pages 1407-1432

  Pulaganti, Madhusudana ^a,b   Banaganapalli, Babajan ^c   Mulakayala, Chaitanya ^d   Chitta, Suresh Kumar ^a   Anuradha, C M ^a  

^a SRI KRISHNADEVARAYA UNIVERSITY   (India)

^b ACHARYA NAGARJUNA UNIVERSITY   (India)

^c UNIVERSITY OF HYDERABAD   (India)

^d SRI SATHYA SAI INSTITUTE OF HIGHER LEARNING   (India)

Author keywords

AutoDock 4.0; MD simulation; Mtb OSBS; Shikimate pathway

Indexed keywords

AMINO ACIDS; BIOCHEMISTRY; CARBOXYLATION; KETONES;

AUTODOCK; MD SIMULATION; MICROBIAL PATHOGENS; MTB-OSBS; MYCOBACTERIUM TUBERCULOSIS; O-SUCCINYLBENZOATE SYNTHASE; POTENTIAL DRUG TARGETS; SHIKIMATE PATHWAY;

MOLECULES;

ARGININE; ASPARAGINE; ASPARTIC ACID; GLUTAMINE; LYSINE; O SUCCINYLBENZOATE SYNTHASE; SERINE; SYNTHETASE; TUBERCULOSTATIC AGENT; TYROSINE; UNCLASSIFIED DRUG; LYASE; O-SUCCINYLBENZOIC ACID SYNTHASE;

AMINO ACID SEQUENCE; ARTICLE; COMPUTER MODEL; CONFORMATIONAL TRANSITION; ENZYME ACTIVE SITE; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; MOLECULAR DOCKING; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PROTEIN INTERACTION; SEQUENCE ANALYSIS; SIMULATION; THERMOBIFIDA FUSCA; BINDING SITE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DESIGN; ENZYME SPECIFICITY; ENZYMOLOGY; HUMAN; METABOLISM; MICROBIOLOGY; PATHOGENICITY; PROTEIN SECONDARY STRUCTURE; SITE DIRECTED MUTAGENESIS; TUBERCULOSIS;

ANIMALIA; BACTERIA (MICROORGANISMS); MYCOBACTERIUM; MYCOBACTERIUM TUBERCULOSIS; THERMOBIFIDA FUSCA;

ANTITUBERCULAR AGENTS; BINDING SITES; CARBON-CARBON LYASES; CATALYSIS; CATALYTIC DOMAIN; DRUG DESIGN; HUMANS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MUTAGENESIS, SITE-DIRECTED; MYCOBACTERIUM TUBERCULOSIS; PROTEIN STRUCTURE, SECONDARY; SUBSTRATE SPECIFICITY; TUBERCULOSIS;

EID: 84896317007     PISSN: 02732289     EISSN: 15590291     Source Type: Journal    
DOI: 10.1007/s12010-013-0569-4     Document Type: Article

References (28)

1. Babajan, B., Chaitanya, M., Rajsekhar, C., Gowsia, D., Madhusudhana, P., Naveen, M., et al. (2009). Interdisciplinary Sciences Computational Life Sciences, 3, 204-216.
2. Aparna, V., Jeevan, J., Ravi, M., & Desiraju, G. R. (2005). Journal of Chemical Information and Modelling, 45, 1101-1108.
3. Cole, S. T., Brosch, R., Parkhill, J., Churcher Harris, D. C., Gordon, S. V., Eiglmeier, K., et al. (1998). Nature, 393, 537-544.
4. Michael, Y. G., & Eugene, V. K. (1999). Current Opinion in Biotechnology, 10(6), 571-578.
5. Celia, W., Goulding, L., Jeanne, P., Daniel, A., Michael, R. S., Duilio, C., et al. (2003). Biophysical Chemistry, 105, 361-370.
6. Meganathan, R. (1996). American Society for Microbiology, 2(1), 642-656.
7. Berkner, K. L. (2005). Annual Review of Nutrition, 25, 127-149.
8. Dowd, P., Ham, S. W., Naganathan, S., & Hershline, R. (1995). Annual Review of Nutrition, 15, 419-440.
9. Bügel, S. (2008). Vitamins & Hormones, 78, 393-416.
10. Shanahan, C. M., Proudfoot, D., Farzaneh-Far, A., & Weissberg, P. L. (1998). Gene Expression Patterns, 8, 357-375.
11. Bentley, R. (1990). Biochemistry and Molecular Biology, 25, 307-384.
12. Suttie, J. W. (1995). Annual Review of Nutrition, 15, 399-417.
13. Laskowski, R. A., Rullmannn, J. A., MacArthur, M. W., Kaptein, R., & Thornton, J. M. (1996). Journal of Biomolecular NMR, 8, 477-486.
14. Pisabarro, M. T., Ortiz, A. R., Serrano, L., & Wade, R. C. (1994). Proteins: Structure, Function, and Bioinformatics, 24, 203-215.
15. Tomii, K., Hirokawa, T., & Motono, C. (2005). Proteins, 61, 114-121.
16. Schuettelkopf, A. W., & van Aalten, D. M. F. (2004). Acta Crystallographica, 60, 1355-1363.
17. Wang, R., Gao, Y., & Lai, L. (2000). Journal of Molecular Modelling, 6, 498-516.
18. Goodsell, D. S., & Morris, G. M. (1998). Journal of Computational Chemistry, 19, 1639-1662.
19. Morris, G. M., Goodsell, D. S., Halliday, R. S., Huey, R., Hart,W. E., Belew, R. K., & Olson, A. J. (1998). Journal of Computational Chemistry, 19, 1639-1645.
20. Michel, F., & Sanner. (1999). Journal of Mololecular Graphics and Modelling, 17, 57-61.
21. La Motta, C., Sartini, S., Mugnaini, L., Simorini, F., Taliani, S., Salerno, S., et al. (2007). Journal of Medicinal Chemistry, 50, 4917-4924.
22. Hess, B., Bekker, H., Berendsen, H., & Fraaije, J. (1997). Journal of Computational Chemistry, 18, 1463-1472.
23. Kanehisa, M., Goto, S., Kawashima, S., & Nakaya, A. (2002). Nucleic Acids Research, 30(1), 42-46.
24. Altschul, S. F., Madden, T. L., Schäffer, A. A., Zhang, J., Zhang, Z., Miller, W., et al. (1997). Nucleic Acids Research, 25(17), 3389-3402.
25. Madhusudana, P., Babajan, B., Chaitanya, M., Anuradha, C. M., Shobha Rani, C., Rajasekhar Chikati, et al. (2012). Interdisciplinary Sciences Computational Life Sciences, 4, 142-152.
26. Laskowski, R. A., Chistyakov, V. V., & Thornton, J. M. (2005). Nucleic Acids Research, 33, 266-268.
27. Maccari, R., Ottana, R., Ciurleo, R., Vigorita, M. G., Rakowitz, D., Steindl, T., et al. (2007). Bioorganic and Medicinal Chemistry Letters, 17, 3886-3894.
28. Da Settimo, F., Primofiore, G., Da Settimo, A., La Motta, C., Taliani, S., Simorini, F., et al. (2001). Europian Journal of Medicinal Chemistry, 44, 4359-4369.