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Prediction Model for Antimalarial Activities of Hemozoin Inhibitors by Using Physicochemical Properties
http://hdl.handle.net/10069/38611
http://hdl.handle.net/10069/38611344261a0-2eab-4cfd-b1f6-09ebfaff4511
名前 / ファイル | ライセンス | アクション |
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ISYK1082_Mosaddeque.pdf (578.9 kB)
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Item type | 学位論文 / Thesis or Dissertation(1) | |||||
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公開日 | 2018-10-05 | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Prediction Model for Antimalarial Activities of Hemozoin Inhibitors by Using Physicochemical Properties | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | malaria | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | antimalarial | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | hemozoin | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | prediction | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | drug | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_db06 | |||||
資源タイプ | doctoral thesis | |||||
アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
著者 |
MOSADDEQUE, FARHANA
× MOSADDEQUE, FARHANA |
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著者別名 | ||||||
姓名 | モサデック, ファルハナ | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The rapid spread of strains of malaria parasites that are resistant to several drugs has threatened global malaria control. Hence, the aim of this study was to predict the antimalarial activity of chemical compounds that possess anti-hemozoin-formation activity as a new means of antimalarial drug discovery. After the initial in vitro anti-hemozoin-formation high-throughput screening (HTS) of 9,600 compounds, a total of 224 hit compounds were identified as hemozoin inhibitors. These 224 compounds were tested for in vitro erythrocytic antimalarial activity at 10 μM by using chloroquine-mefloquine-sensitive Plasmodium falciparum strain 3D7A. Two independent experiments were conducted. The physicochemical properties of the active compounds were extracted from the ChemSpider and SciFinder databases. We analyzed the extracted data by using Bayesian model averaging (BMA). Our findings revealed that lower numbers of S atoms; lower distribution coefficient (log D) values at pH 3, 4, and 5; and higher predicted distribution coefficient (ACD log D) values at pH 7.4 had significant associations with antimalarial activity among compounds that possess anti-hemozoin-formation activity. The BMA model revealed an accuracy of 91.23%. We report new prediction models containing physicochemical properties that shed light on effective chemical groups for synthetic antimalarial compounds and help with in silico screening for novel antimalarial drugs. | |||||
内容記述 | ||||||
内容記述タイプ | Other | |||||
内容記述 | 長崎大学学位論文 学位記番号:博(医歯薬)甲第1082号 学位授与年月日:平成30年6月6日 | |||||
内容記述 | ||||||
内容記述タイプ | Other | |||||
内容記述 | Author: Farhana Mosaddeque, Shusaku Mizukami, Mohamed Gomaa Kamel, Awet Alem Teklemichael, Truong Van Dat, Satoshi Mizuta, Dinh Van Toan, Ali Mahmoud Ahmed, Nguyen Lam Vuong, Mohamed Tamer Elhady, Hoang Thi Nam Giang, Tran Ngoc Dang, Michiko Fukuda, Lam K. Huynh, Yoshimasa Tanaka, Timothy J. Egan, Osamu Kaneko, Nguyen Tien Huy and Kenji Hirayama | |||||
内容記述 | ||||||
内容記述タイプ | Other | |||||
内容記述 | Citation: Antimicrobial Agents and Chemotherapy, 62(5), e02424-17; 2018 | |||||
書誌情報 |
Antimicrobial Agents and Chemotherapy 巻 62, 号 5, p. e02424-17, 発行日 2018-06-06 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 00664804 | |||||
EISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 10986596 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1128/AAC.02424-17 | |||||
権利 | ||||||
権利情報 | c 2018 American Society for Microbiology | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
その他のタイトル | ||||||
その他のタイトル | 物理化学的特性を用いたヘモゾイン阻害薬の抗マラリア活性予測モデル構築 | |||||
出版者 | ||||||
出版者 | American Society for Microbiology | |||||
関係URI | ||||||
識別子タイプ | HDL | |||||
関連識別子 | http://hdl.handle.net/10069/38357 | |||||
学位名 | ||||||
学位名 | 博士(医学) | |||||
学位授与機関 | ||||||
学位授与機関識別子Scheme | kakenhi | |||||
学位授与機関識別子 | 17301 | |||||
学位授与機関名 | Nagasaki University (長崎大学) | |||||
学位授与年月日 | ||||||
学位授与年月日 | 2018-06-06 | |||||
学位授与番号 | ||||||
学位授与番号 | 甲医歯薬第1082号 | |||||
学位の種類 | ||||||
課程博士 | ||||||
引用 | ||||||
内容記述タイプ | Other | |||||
内容記述 | Nagasaki University (長崎大学), 博士(医学) (2018-06-06) |