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Research Article

Identification of new benzamide inhibitor against α-subunit of tryptophan synthase from Mycobacterium tuberculosis through structure-based virtual screening, anti-tuberculosis activity and molecular dynamics simulations

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Pages 1043-1053 | Received 09 Dec 2017, Accepted 14 Feb 2018, Published online: 13 Mar 2018

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Surender Mohan, Dhananjay Jade, Sonal Gupta, Selvaraj Ayyamperumal, M. J. N Chandrasekar & M. J. Nanjan. (2022) Virtual high-throughput screening: potential inhibitors for the mycobacterial α-subunit of tryptophan synthase. Molecular Simulation 48:4, pages 342-353.
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Sadia Naz, Umar Farooq, Sara Khan, Rizwana Sarwar, Yahia Nasser Mabkhot, Maria Saeed, Abdulrahman Alsayari, Abdullatif Bin Muhsinah & Zaheer Ul-Haq. (2021) Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against α-tryptophan synthase from Mycobacterium tuberculosis. Journal of Biomolecular Structure and Dynamics 39:2, pages 610-620.
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Olivia Slater & Maria Kontoyianni. (2019) The compromise of virtual screening and its impact on drug discovery. Expert Opinion on Drug Discovery 14:7, pages 619-637.
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Sajjad Ahmad, Saad Raza, Asma Abro, Klaus R. Liedl & Syed Sikander Azam. (2019) Toward novel inhibitors against KdsB: a highly specific and selective broad-spectrum bacterial enzyme. Journal of Biomolecular Structure and Dynamics 37:5, pages 1326-1345.
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Rebecca N. D'Amico & David D. Boehr. (2023) Allostery, engineering and inhibition of tryptophan synthase. Current Opinion in Structural Biology 82, pages 102657.
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Rebecca Vande Voorde, Elizaveta Dzalamidze, Dylan Nelson & Lia Danelishvili. (2022) Identification of Small Molecule Inhibitors against Mycobacteria in Activated Macrophages. Molecules 27:18, pages 5824.
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Nikolas Esposito, David W. Konas & Nina M. Goodey. (2021) Indole‐3‐Glycerol Phosphate Synthase From Mycobacterium tuberculosis : A Potential New Drug Target . ChemBioChem 23:2.
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Liu Yang, Xueping Hu, Xin Chai, Qing Ye, Jinping Pang, Dan Li & Tingjun Hou. (2022) Opportunities for overcoming tuberculosis: Emerging targets and their inhibitors. Drug Discovery Today 27:1, pages 326-336.
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Elmutasim O. Ibnouf, Abdellah Kaiba, Mohammed H. Geesi, Abdullah M. Alghamdi, Ziyad S. Aldajani, Oussama Dehbi, Philippe Guionneau, Rachid Azzallou & Yassine Riadi. (2021) Synthesis, antibacterial evaluation, crystal structure, molecular interaction analysis and DFT calculations of novel N-hydroxy-2-(4-methylbenzamido)benzamide. Journal of Molecular Structure 1246, pages 131214.
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Soujanya D. Yelamanchi & Avadhesha Surolia. (2021) Targeting amino acid metabolism of Mycobacterium tuberculosis for developing inhibitors to curtail its survival . IUBMB Life 73:4, pages 643-658.
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Kathleen F. O'Rourke, Rebecca N. D'Amico, Debashish Sahu & David D. Boehr. (2020) Distinct conformational dynamics and allosteric networks in alpha tryptophan synthase during active catalysis. Protein Science 30:3, pages 543-557.
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Carly A. Bobak, Lili Kang, Lesley Workman, Lindy Bateman, Mohammad S. Khan, Margaretha Prins, Lloyd May, Flavio A. Franchina, Cynthia Baard, Mark P. Nicol, Heather J. Zar & Jane E. Hill. (2021) Breath can discriminate tuberculosis from other lower respiratory illness in children. Scientific Reports 11:1.
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Arne Krüger, Vinicius Gonçalves Maltarollo, Carsten Wrenger & Thales Kronenberger. 2020. Drug Discovery and Development - New Advances. Drug Discovery and Development - New Advances.
Sara Consalvi, Cristina Scarpecci, Mariangela Biava & Giovanna Poce. (2019) Mycobacterial tryptophan biosynthesis: A promising target for tuberculosis drug development?. Bioorganic & Medicinal Chemistry Letters 29:23, pages 126731.
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Sy-Bing Choi, Beow Keat Yap, Yee Siew Choong & Habibah Wahab. 2019. Encyclopedia of Bioinformatics and Computational Biology. Encyclopedia of Bioinformatics and Computational Biology 652 665 .
Nikhil Bachappanavar & Sinosh Skariyachan. 2019. Essentials of Bioinformatics, Volume II. Essentials of Bioinformatics, Volume II 233 281 .

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