{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,28]],"date-time":"2026-02-28T07:58:31Z","timestamp":1772265511716,"version":"3.50.1"},"reference-count":40,"publisher":"American Society for Microbiology","issue":"5","license":[{"start":{"date-parts":[[2018,5,1]],"date-time":"2018-05-01T00:00:00Z","timestamp":1525132800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.asm.org\/non-commercial-tdm-license"}],"content-domain":{"domain":["journals.asm.org"],"crossmark-restriction":true},"short-container-title":["Antimicrob Agents Chemother"],"published-print":{"date-parts":[[2018,5]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n          <jats:p>\n            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\n            <jats:italic>in vitro<\/jats:italic>\n            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\n            <jats:italic>in vitro<\/jats:italic>\n            erythrocytic antimalarial activity at 10 \u03bcM by using chloroquine-mefloquine-sensitive\n            <jats:named-content content-type=\"genus-species\">Plasmodium falciparum<\/jats:named-content>\n            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\n            <jats:italic>in silico<\/jats:italic>\n            screening for novel antimalarial drugs.\n          <\/jats:p>","DOI":"10.1128\/aac.02424-17","type":"journal-article","created":{"date-parts":[[2018,2,13]],"date-time":"2018-02-13T11:34:08Z","timestamp":1518521648000},"update-policy":"https:\/\/doi.org\/10.1128\/asmj-crossmark-policy-page","source":"Crossref","is-referenced-by-count":12,"title":["Prediction Model for Antimalarial Activities of Hemozoin Inhibitors by Using Physicochemical Properties"],"prefix":"10.1128","volume":"62","author":[{"given":"Farhana","family":"Mosaddeque","sequence":"first","affiliation":[{"name":"Department of Immunogenetics, Institute of Tropical Medicine (NEKKEN), Nagasaki University, Nagasaki, Japan"},{"name":"Leading Program, Graduate School of Biomedical Sciences, Nagasaki University, Nagasaki, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shusaku","family":"Mizukami","sequence":"additional","affiliation":[{"name":"Department of Clinical Product Development, Institute of Tropical Medicine (NEKKEN), Graduate School of Biomedical Sciences, Nagasaki University, Nagasaki, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohamed Gomaa","family":"Kamel","sequence":"additional","affiliation":[{"name":"Online Research Club"},{"name":"Faculty of Medicine, Minia University, Minia, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Awet Alem","family":"Teklemichael","sequence":"additional","affiliation":[{"name":"Department of Immunogenetics, Institute of Tropical Medicine (NEKKEN), Nagasaki University, Nagasaki, Japan"},{"name":"Leading Program, Graduate School of Biomedical Sciences, Nagasaki University, Nagasaki, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Truong Van","family":"Dat","sequence":"additional","affiliation":[{"name":"University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Satoshi","family":"Mizuta","sequence":"additional","affiliation":[{"name":"Center for Bioinformatics and Molecular Medicine, Graduate School of Biomedical Sciences, Nagasaki University, Nagasaki, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dinh Van","family":"Toan","sequence":"additional","affiliation":[{"name":"University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ali Mahmoud","family":"Ahmed","sequence":"additional","affiliation":[{"name":"Online Research Club"},{"name":"Faculty of Medicine, Al-Azhar University, Cairo, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nguyen Lam","family":"Vuong","sequence":"additional","affiliation":[{"name":"Online Research Club"},{"name":"University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohamed Tamer","family":"Elhady","sequence":"additional","affiliation":[{"name":"Online Research Club"},{"name":"Zagazig University Hospitals, Department of Pediatrics, Sharkia, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hoang Thi Nam","family":"Giang","sequence":"additional","affiliation":[{"name":"Online Research Club"},{"name":"Faculty of Medicine and Pharmacy, The University of Da Nang, Da Nang, Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tran Ngoc","family":"Dang","sequence":"additional","affiliation":[{"name":"Online Research Club"},{"name":"University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam"},{"name":"Graduate School of Comprehensive Human Sciences, University of Tsukuba, Tsukuba, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michiko","family":"Fukuda","sequence":"additional","affiliation":[{"name":"Department of Immunogenetics, Institute of Tropical Medicine (NEKKEN), Nagasaki University, Nagasaki, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lam K.","family":"Huynh","sequence":"additional","affiliation":[{"name":"International University, VNU-HCM, Ho Chi Minh City, Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yoshimasa","family":"Tanaka","sequence":"additional","affiliation":[{"name":"Center for Bioinformatics and Molecular Medicine, Graduate School of Biomedical Sciences, Nagasaki University, Nagasaki, Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Timothy J.","family":"Egan","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Cape Town, Rondebosch, South 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