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Drug Design, Development and Therapy Volume 10, 2016 - Issue
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Original Research

Toward antituberculosis drugs: in silico screening of synthetic compounds against Mycobacterium tuberculosisl,d-transpeptidase 2

Junie B Billones1 Office of the Vice President for Academic Affairs – Emerging Interdisciplinary Research Program: “Computer-aided Discovery of Compounds for the treatment of Tuberculosis in the Philippines,” Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Diliman, Diliman, Quezon City, Philippines;2 Institute of Pharmaceutical Sciences, National Institutes of Health, University of the Philippines Manila, Manila, PhilippinesCorrespondence[email protected]
,
Maria Constancia O Carrillo1 Office of the Vice President for Academic Affairs – Emerging Interdisciplinary Research Program: “Computer-aided Discovery of Compounds for the treatment of Tuberculosis in the Philippines,” Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Diliman, Diliman, Quezon City, Philippines
,
Voltaire G Organo1 Office of the Vice President for Academic Affairs – Emerging Interdisciplinary Research Program: “Computer-aided Discovery of Compounds for the treatment of Tuberculosis in the Philippines,” Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Diliman, Diliman, Quezon City, Philippines
,
Stephani Joy Y Macalino1 Office of the Vice President for Academic Affairs – Emerging Interdisciplinary Research Program: “Computer-aided Discovery of Compounds for the treatment of Tuberculosis in the Philippines,” Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Diliman, Diliman, Quezon City, Philippines
,
Jamie Bernadette A Sy1 Office of the Vice President for Academic Affairs – Emerging Interdisciplinary Research Program: “Computer-aided Discovery of Compounds for the treatment of Tuberculosis in the Philippines,” Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Diliman, Diliman, Quezon City, Philippines
,
Inno A Emnacen1 Office of the Vice President for Academic Affairs – Emerging Interdisciplinary Research Program: “Computer-aided Discovery of Compounds for the treatment of Tuberculosis in the Philippines,” Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Diliman, Diliman, Quezon City, Philippines
,
Nina Abigail B Clavio1 Office of the Vice President for Academic Affairs – Emerging Interdisciplinary Research Program: “Computer-aided Discovery of Compounds for the treatment of Tuberculosis in the Philippines,” Department of Physical Sciences and Mathematics, College of Arts and Sciences, University of the Philippines Diliman, Diliman, Quezon City, Philippines
&
Gisela P Concepcion3 Marine Science Institute, University of the Philippines Diliman, Diliman, Quezon City, Philippines
 show all
Pages 1147-1157 | Published online: 11 Mar 2016

Citations (22)

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Manish Dwivedi, Sandra Jose, Megha Gupta, Sreevidya S. Devi, Ritu Raj & Dinesh Kumar. (2023) Copper transporter protein (MctB) as a therapeutic target to elicit antimycobacterial activity against tuberculosis. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
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Charlaine A Aventurado, Junie B Billones, Ross D Vasquez & Agnes L Castillo. (2020) In Ovo and In Silico Evaluation of the Anti-Angiogenic Potential of Syringin. Drug Design, Development and Therapy 14, pages 5189-5204.
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Alexey Aleksandrov & Hannu Myllykallio. (2019) Advances and challenges in drug design against tuberculosis: application of in silico approaches. Expert Opinion on Drug Discovery 14:1, pages 35-46.
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Junie B Billones, Maria Constancia O Carrillo, Voltaire G Organo, Jamie Bernadette A Sy, Nina Abigail B Clavio, Stephani Joy Y Macalino, Inno A Emnacen, Alexandra P Lee, Paul Kenny L Ko & Gisela P Concepcion. (2017) In silico discovery and in vitro activity of inhibitors against Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase (Mtb BioA). Drug Design, Development and Therapy 11, pages 563-574.
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Articles from other publishers (18)

Shasank S. Swain, Sanghamitra Pati & Tahziba Hussain. (2022) Quinoline heterocyclic containing plant and marine candidates against drug-resistant Mycobacterium tuberculosis: A systematic drug-ability investigation. European Journal of Medicinal Chemistry 232, pages 114173.
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Jianying Han, Xueting Liu, Lixin Zhang, Ronald J. Quinn & Yunjiang Feng. (2022) Anti-mycobacterial natural products and mechanisms of action. Natural Product Reports 39:1, pages 77-89.
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Murtala A. Ejalonibu, Segun A. Ogundare, Ahmed A. Elrashedy, Morufat A. Ejalonibu, Monsurat M. Lawal, Ndumiso N. Mhlongo & Hezekiel M. Kumalo. (2021) Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach. International Journal of Molecular Sciences 22:24, pages 13259.
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Junie B. Billones & Nina Abigail B. Clavio. (2021) <i>In Silico</i> Discovery of Natural Products Against Dengue RNA-Dependent RNA Polymerase Drug Target. Chem-Bio Informatics Journal 21:0, pages 11-27.
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Alexander D.H. Kingdon & Luke J. Alderwick. (2021) Structure-based in silico approaches for drug discovery against Mycobacterium tuberculosis. Computational and Structural Biotechnology Journal 19, pages 3708-3719.
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Kleber Santiago Freitas e Silva, Raisa Melo Lima, Patrícia de Sousa Lima, Lilian Cristiane Baeza, Roosevelt Alves da Silva, Célia Maria de Almeida Soares & Maristela Pereira. (2020) Interaction of Isocitrate Lyase with Proteins Involved in the Energetic Metabolism in Paracoccidioides lutzii. Journal of Fungi 6:4, pages 309.
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Gideon F. Tolufashe, Victor T. Sabe, Colins U. Ibeji, Thandokuhle Ntombela, Thavendran Govender, Glenn E.M. Maguire, Hendrik G. Kruger, Gyanu Lamichhane & Bahareh Honarparvar. (2020) Structure and Function of L,D- and D,D-Transpeptidase Family Enzymes from Mycobacterium tuberculosis. Current Medicinal Chemistry 27:19, pages 3250-3267.
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Stephen A. Cochrane & Christopher T. Lohans. (2020) Breaking down the cell wall: Strategies for antibiotic discovery targeting bacterial transpeptidases. European Journal of Medicinal Chemistry 194, pages 112262.
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Stephani Joy Y. Macalino, Junie B. Billones, Voltaire G. Organo & Maria Constancia O. Carrillo. (2020) In Silico Strategies in Tuberculosis Drug Discovery. Molecules 25:3, pages 665.
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Victor T. Sabe, Gideon F. Tolufashe, Collins U. Ibeji, Sibusiso B. Maseko, Thavendran Govender, Glenn E. M. Maguire, Gyanu Lamichhane, Bahareh Honarparvar & Hendrik G. Kruger. (2019) Identification of potent L,D-transpeptidase 5 inhibitors for Mycobacterium tuberculosis as potential anti-TB leads: virtual screening and molecular dynamics simulations. Journal of Molecular Modeling 25:11.
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Rahul Balasaheb Aher & Kunal Roy. (2019) Computational Approaches as Rational Decision Support Systems for Discovering Next-Generation Antitubercular Agents: Mini-Review. Current Computer-Aided Drug Design 15:5, pages 369-383.
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Giulia Oliveira Timo, Rodrigo Souza Silva Valle dos Reis, Adriana Françozo de Melo, Thales Viana Labourdette Costa, Pérola de Oliveira Magalhães & Mauricio Homem-de-Mello. (2019) Predictive Power of In Silico Approach to Evaluate Chemicals against M. tuberculosis: A Systematic Review. Pharmaceuticals 12:3, pages 135.
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Junie B. Billones & Marielle Alyanna T. Bangalan. (2019) Structure-Based Discovery of Inhibitors Against MurE in Methicillin-Resistant Staphylococcus Aureus. Oriental Journal of Chemistry 35:2, pages 618-625.
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Gideon F. Tolufashe, Amit K. Halder, Collins U. Ibeji, Monsurat M. Lawal, Thandokuhle Ntombela, Thavendran Govender, Glenn E. M. Maguire, Gyanu Lamichhane, Hendrik G. Kruger & Bahareh Honarparvar. (2018) Inhibition of Mycobacterium tuberculosis L,D‐Transpeptidase 5 by Carbapenems: MD and QM/MM Mechanistic Studies . ChemistrySelect 3:48, pages 13603-13612.
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PEÑAFRANCIA D. RARIZAJUNIE B. BILLONES. (2018) Retusenol Potentially Inhibits Putative Drug Targets for Tuberculosis, Cardiovascular Diseases, Cancer and HIV: (A Reverse Docking Study). Oriental Journal of Chemistry 34:4, pages 1795-1801.
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Mustafa Alhaji Isa, Rita Singh Majumdhar & Shazia Haider. (2018) In silico docking and molecular dynamics simulation of 3-dehydroquinate synthase (DHQS) from Mycobacterium tuberculosis. Journal of Molecular Modeling 24:6.
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Sakthivel Balasubramaniyan, Navabshan Irfan, Appavoo Umamaheswari & Ayarivan Puratchikody. (2018) Design and virtual screening of novel fluoroquinolone analogs as effective mutant DNA GyrA inhibitors against urinary tract infection-causing fluoroquinolone resistant Escherichia coli . RSC Advances 8:42, pages 23629-23647.
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Ming Li, Fang Wen, Shengguo Zhao, Pengpeng Wang, Songli Li, Yangdong Zhang, Nan Zheng & Jiaqi Wang. (2016) Exploring the Molecular Basis for Binding of Inhibitors by Threonyl-tRNA Synthetase from Brucella abortus: A Virtual Screening Study. International Journal of Molecular Sciences 17:7, pages 1078.
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