Aspartate-β-semialdeyhyde dehydrogenase as a potential therapeutic target of Mycobacterium tuberculosis H37Rv: Evidence from in silico elementary mode analysis of biological network model.
作者： Saif Khan , Pallavi Somvanshi , Tulika Bhardwaj , Raju K Mandal , Sajad A Dar
DOI: 10.1002/JCB.26458
关键词:
摘要: The emergence of multi-drug resistant strains and co-occurrence tuberculosis with HIV creates a major burden to the human health globally. Failure primary antibacterial therapy necessitates identification new mycobacterial drugs. In this study, comprehensive analysis involving bottom-up systems biology approach was applied wherein we have identified potential therapeutic targets Mycobacterium infections. Our study prioritized M. [aspartate-β-semialdeyhde dehydrogenase (ASD), dihydrodipicolinate reductase diaminopimelate decarboxylase] based on flux elementary mode using direct mathematical modeling relevant metabolic pathways. Molecular docking simulation studies priority target (i.e., ASD) revealed selected natural products (Huperzine A, Rosmarinic acid Curcumin) ASD inhibitors. highlights crucial role in conjunction molecular interaction (docking) for probing novel leads against an increasingly pathogen, tuberculousis. This article is protected by copyright. All rights reserved
sci-hub.se 参考文章(59)
Pedro Mendes, Stefan Hoops, Sven Sahle, Ralph Gauges, Joseph Dada, Ursula Kummer, Computational modeling of biochemical networks using COPASI. Methods of Molecular Biology. ,vol. 500, pp. 17- 59 ,(2009) , 10.1007/978-1-59745-525-1_2
Tasha Smith, Kerstin A. Wolff, Liem Nguyen, Molecular Biology of Drug Resistance in Mycobacterium tuberculosis Current Topics in Microbiology and Immunology. ,vol. 374, pp. 53- 80 ,(2013) , 10.1007/82_2012_279
Biochemical pathways : an atlas of biochemistry and molecular biology John Wiley & Sons. ,(2012) , 10.1002/9781118657072
Vijai Singh, Pallavi Somvanshi, Inhibition of Oligomerization of Aerolysin from Aeromonas Hydrophila: Homology Modeling and Docking Approach for Exploration of Hemorrhagic Septicemia Letters in Drug Design & Discovery. ,vol. 6, pp. 215- 223 ,(2009) , 10.2174/157018009787847864
Rebecca C. Taylor, Sean P. Cullen, Seamus J. Martin, Apoptosis: controlled demolition at the cellular level Nature Reviews Molecular Cell Biology. ,vol. 9, pp. 231- 241 ,(2008) , 10.1038/NRM2312
H.J.C. Berendsen, D. van der Spoel, R. van Drunen, GROMACS: A message-passing parallel molecular dynamics implementation Computer Physics Communications. ,vol. 91, pp. 43- 56 ,(1995) , 10.1016/0010-4655(95)00042-E
Akriti Srivastava, Pallavi Somvanshi, Bhartendu Nath Mishra, Reconstruction and visualization of carbohydrate, N-glycosylation pathways in Pichia pastoris CBS7435 using computational and system biology approaches Systems and Synthetic Biology. ,vol. 7, pp. 7- 22 ,(2013) , 10.1007/S11693-012-9102-2
Alice R. Wattam, David Abraham, Oral Dalay, Terry L. Disz, Timothy Driscoll, Joseph L. Gabbard, Joseph J. Gillespie, Roger Gough, Deborah Hix, Ronald Kenyon, Dustin Machi, Chunhong Mao, Eric K. Nordberg, Robert Olson, Ross Overbeek, Gordon D. Pusch, Maulik Shukla, Julie Schulman, Rick L. Stevens, Daniel E. Sullivan, Veronika Vonstein, Andrew Warren, Rebecca Will, Meredith J.C. Wilson, Hyun Seung Yoo, Chengdong Zhang, Yan Zhang, Bruno W. Sobral, PATRIC, the bacterial bioinformatics database and analysis resource Nucleic Acids Research. ,vol. 42, pp. 581- 591 ,(2014) , 10.1093/NAR/GKT1099
Raghvendra M. Srivastava, Sarvjeet Singh, Shiv K. Dubey, Krishna Misra, Ashok Khar, Immunomodulatory and therapeutic activity of curcumin. International Immunopharmacology. ,vol. 11, pp. 331- 341 ,(2011) , 10.1016/J.INTIMP.2010.08.014
M. Kanehisa, S. Goto, Y. Sato, M. Furumichi, M. Tanabe, KEGG for integration and interpretation of large-scale molecular data sets Nucleic Acids Research. ,vol. 40, pp. 109- 114 ,(2012) , 10.1093/NAR/GKR988