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Drug Design, Development and Therapy Volume 11, 2017 - Issue
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Original Research

In silico discovery and in vitro activity of inhibitors against Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase (Mtb BioA)

Junie B Billones1 OVPAA-EIDR 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 Manila, Manila, Philippines;2 Institute of Pharmaceutical Sciences, National Institutes of Health, University of the Philippines Manila, Manila, PhilippinesCorrespondence[email protected]
,
Maria Constancia O Carrillo1 OVPAA-EIDR 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 Manila, Manila, Philippines
,
Voltaire G Organo1 OVPAA-EIDR 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 Manila, Manila, Philippines
,
Jamie Bernadette A Sy1 OVPAA-EIDR 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 Manila, Manila, Philippines
,
Nina Abigail B Clavio1 OVPAA-EIDR 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 Manila, Manila, Philippines
,
Stephani Joy Y Macalino1 OVPAA-EIDR 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 Manila, Manila, Philippines
,
Inno A Emnacen1 OVPAA-EIDR 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 Manila, Manila, Philippines
,
Alexandra P Lee1 OVPAA-EIDR 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 Manila, Manila, Philippines
,
Paul Kenny L Ko1 OVPAA-EIDR 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 Manila, Manila, Philippines
&
Gisela P Concepcion3 Marine Science Institute, College of Science, University of the Philippines Diliman, Quezon City, Philippines
 show all
Pages 563-574 | Published online: 02 Mar 2017

Citations (18)

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Read on this site (4)

Chai Xin Yu, Jian Wei Tan, Kamal Rullah, Syahrul Imran & Chau Ling Tham. (2023) Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of α-keto-[1,2,4]-oxadiazoles. Journal of Biomolecular Structure and Dynamics 41:22, pages 12978-12996.
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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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Swati Singh, Garima Khare, Ritika Kar Bahal, Prahlad C Ghosh & Anil K Tyagi. (2018) Identification of Mycobacterium tuberculosis BioA inhibitors by using structure-based virtual screening. Drug Design, Development and Therapy 12, pages 1065-1079.
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Articles from other publishers (14)

Adarsh Sahu, Jyotika Mishra & Namrata Kushwaha. (2022) Artificial Intelligence (AI) in Drugs and Pharmaceuticals. Combinatorial Chemistry & High Throughput Screening 25:11, pages 1818-1837.
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Summaya Perveen & Rashmi Sharma. (2022) Screening approaches and therapeutic targets: The two driving wheels of tuberculosis drug discovery. Biochemical Pharmacology 197, pages 114906.
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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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Daiana O. S. Nunes, Rafaelle Vinturelle, Francislene J. Martins, Thiago F. dos Santos, Alessandra Leda Valverde, Carlos Magno R. Ribeiro, Helena C. Castro & Evelize Folly. (2021) Biotechnological Potential of Eugenol and Thymol Derivatives Against Staphylococcus aureus from Bovine Mastitis. Current Microbiology 78:5, pages 1846-1855.
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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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Zhe Hu & John E. Cronan. (2020) The primary step of biotin synthesis in mycobacteria. Proceedings of the National Academy of Sciences 117:38, pages 23794-23801.
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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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Arlou Angeles, Ryan Yu, Eva Cutiongco‑De la Paz & Reynaldo Garcia. (2019) Phenotypic characterization of the novel, non‑hotspot oncogenic KRAS mutants E31D and E63K. Oncology Letters.
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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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Romina Armando, Diego Mengual Gómez, Ezequiel Juritz, Pablo Lorenzano Menna & Daniel Gomez. (2018) Homology Model and Docking-Based Virtual Screening for Ligands of Human Dyskerin as New Inhibitors of Telomerase for Cancer Treatment. International Journal of Molecular Sciences 19:10, pages 3216.
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Rohan Dhiman & Ramandeep Singh. (2018) Recent advances for identification of new scaffolds and drug targets for Mycobacterium tuberculosis . IUBMB Life 70:9, pages 905-916.
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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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