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{
    "pk": 41357,
    "title": "Identification of small molecule inhibitors against SecA of Candidatus Liberibacter asiaticus by structure based design",
    "subtitle": null,
    "abstract": "Huanglongbing is the most devastating disease of citrus caused by \nCandidatus\n Liberibacter asiaticus (Las) (1, 2). In the present study, we report the discovery of novel small molecule inhibitors against SecA ATPase of Las by using structure based design methods. We built the homology model of SecA protein structure of Las based on the SecA of \nEscherichia coli\n. The model was used for \nin-silico\n screening of commercially available compounds from ZINC database. Using the glide flexible molecular docking method, twenty structures were chosen for \nin vitro\n studies. Five compounds were found to inhibit the ATPase activity of SecA of Las at nano molar concentrations and showed antimicrobial activities against \nAgrobacterium tumefaciens\n with MBC ranging from 128 to 256 g/mL.  These compounds appear to be suitable as lead compounds for further development of antimicrobial compounds against Las. To test the application potential of those compounds on plants, the phytotoxicity studies were performed on the five compounds against citrus.  In addition, we are optimizing these five antimicrobial compounds to identify compounds higher antimicrobial activity.",
    "language": "en",
    "license": {
        "name": "Creative Commons Attribution 4.0",
        "short_name": "CC BY 4.0",
        "text": "Attribution — You must give appropriate credit, provide a link to the license, and indicate if changes were made. You may do so in any reasonable manner, but not in any way that suggests the licensor endorses you or your use.\n\nNo additional restrictions — You may not apply legal terms or technological measures that legally restrict others from doing anything the license permits.",
        "url": "https://creativecommons.org/licenses/by/4.0"
    },
    "keywords": [],
    "section": "Abstracts of Presentations at the 3rd International Research Conference on Huanglongbing",
    "is_remote": true,
    "remote_url": "https://escholarship.org/uc/item/9k6712tj",
    "frozenauthors": [
        {
            "first_name": "Nagaraju",
            "middle_name": "",
            "last_name": "Akula",
            "name_suffix": "",
            "institution": "Citrus Research & Education Center, Department of Microbiology and Cell Science, University of Florida, 700 Experiment Station Rd., Lake Alfred, FL 33850, USA",
            "department": "None"
        },
        {
            "first_name": "Pankaj",
            "middle_name": "",
            "last_name": "Trivedi",
            "name_suffix": "",
            "institution": "Citrus Research & Education Center, Department of Microbiology and Cell Science, University of Florida, 700 Experiment Station Rd., Lake Alfred, FL 33850, USA",
            "department": "None"
        },
        {
            "first_name": "Frank",
            "middle_name": "Q.",
            "last_name": "Han",
            "name_suffix": "",
            "institution": "Structure Based Design, Inc., 6048 Cornerstone Court West, Suite D, San Diego, CA 92121, USA",
            "department": "None"
        },
        {
            "first_name": "Nian",
            "middle_name": "",
            "last_name": "Wang",
            "name_suffix": "",
            "institution": "Citrus Research & Education Center, Department of Microbiology and Cell Science, University of Florida, 700 Experiment Station Rd., Lake Alfred, FL 33850, USA",
            "department": "None"
        }
    ],
    "date_submitted": "2014-12-20T10:46:05+08:00",
    "date_accepted": "2014-12-20T10:46:05+08:00",
    "date_published": "2014-01-01T08:00:00+08:00",
    "render_galley": null,
    "galleys": [
        {
            "label": "",
            "type": "pdf",
            "path": "https://journalpub.escholarship.org/iocv_journalcitruspathology/article/41357/galley/30956/download/"
        }
    ]
}