{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,6,10]],"date-time":"2025-06-10T09:15:10Z","timestamp":1749546910616},"reference-count":25,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2019,1,28]],"date-time":"2019-01-28T00:00:00Z","timestamp":1548633600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Netw Model Anal Health Inform Bioinforma"],"published-print":{"date-parts":[[2019,12]]},"DOI":"10.1007\/s13721-019-0183-7","type":"journal-article","created":{"date-parts":[[2019,1,28]],"date-time":"2019-01-28T08:02:44Z","timestamp":1548662564000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Computational screening and ADMET-based study for targeting Plasmodium S-adenosyl-l-homocysteine hydrolase: top scoring inhibitors"],"prefix":"10.1007","volume":"8","author":[{"given":"Dev Bukhsh","family":"Singh","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Seema","family":"Dwivedi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2019,1,28]]},"reference":[{"key":"183_CR1","doi-asserted-by":"publisher","first-page":"794","DOI":"10.1093\/infdis\/jiv508","volume":"213","author":"HP Beck","year":"2016","unstructured":"Beck HP, Wampfler R, Carter N, Koh G, Osorio L, Rueangweerayut R (2016) Estimation of tafenoquine anti-relapse efficacy using Plasmodium vivax genotyping. J Infect Dis 213:794\u2013799","journal-title":"J Infect Dis"},{"issue":"1","key":"183_CR2","doi-asserted-by":"publisher","first-page":"26","DOI":"10.1186\/s12936-016-1675-x","volume":"16","author":"JN Burrows","year":"2017","unstructured":"Burrows JN, Duparc S, Gutteridge WE, Hooft van Huijsduijnen R, Kaszubska W, Macintyre F, Mazzuri S, M\u00f6hrle JJ, Wells TNC (2017) New developments in anti-malarial target candidate and product profiles. Malar J 16(1):26","journal-title":"Malar J"},{"key":"183_CR3","doi-asserted-by":"publisher","first-page":"3099","DOI":"10.1021\/ci300367a","volume":"52","author":"F Cheng","year":"2012","unstructured":"Cheng F, Li W, Zhou Y, Shen J, Wu Z, Liu G, Lee PW, Tang Y (2012) admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties. J Chem Inf Model 52:3099\u20133105","journal-title":"J Chem Inf Model"},{"issue":"Database issue","key":"183_CR4","doi-asserted-by":"publisher","first-page":"D1100","DOI":"10.1093\/nar\/gkr777","volume":"40","author":"A Gaulton","year":"2012","unstructured":"Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Overington JP (2012) ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res 40(Database issue):D1100\u2013D1107","journal-title":"Nucleic Acids Res"},{"key":"183_CR5","doi-asserted-by":"publisher","first-page":"1757","DOI":"10.1021\/ci3001277","volume":"52","author":"JJ Irwin","year":"2012","unstructured":"Irwin JJ, Sterling T, Mysinger MM, Bolstad ES, Coleman RG (2012) ZINC: a free tool to discover chemistry for biology. J Chem Inf Model 52:1757\u20131768","journal-title":"J Chem Inf Model"},{"key":"183_CR6","doi-asserted-by":"publisher","first-page":"3963","DOI":"10.1016\/j.bmcl.2003.08.074","volume":"13","author":"Y Kitade","year":"2003","unstructured":"Kitade Y, Kojima H, Zulfiqur F, Kim HS, Wataya Y (2003) Synthesis of 2-fluoronoraristeromycin and its inhibitory activity against Plasmodium falciparum S-adenosyl-l-homocysteine hydrolase. Bioorg Med Chem Lett 13:3963\u20133965","journal-title":"Bioorg Med Chem Lett"},{"key":"183_CR7","doi-asserted-by":"publisher","first-page":"W409","DOI":"10.1093\/nar\/gks378","volume":"40","author":"DR Koes","year":"2012","unstructured":"Koes DR, Camacho CJ (2012) ZINCPharmer: pharmacophore search of the ZINC database. Nucleic Acids Res 40:W409\u2013W414","journal-title":"Nucleic Acids Res"},{"key":"183_CR8","doi-asserted-by":"publisher","first-page":"141","DOI":"10.1093\/nass\/2.1.141","volume":"2","author":"H Kojima","year":"2002","unstructured":"Kojima H, Yamaguchi T, Kozaki A, Nakanishi M, Ueno Y, Kitade Y (2002) Synthesis of noraristeromycin analogues possessing SAH hydrolase inhibitory activity for the development of antimalaria agents. Nucleic Acids Res Suppl 2:141\u2013142","journal-title":"Nucleic Acids Res Suppl"},{"key":"183_CR9","doi-asserted-by":"publisher","first-page":"16641","DOI":"10.1038\/srep16641","volume":"5","author":"Y Kusakabe","year":"2015","unstructured":"Kusakabe Y, Ishihara M, Umeda T, Kuroda D, Nakanishi M, Kitade Y, Gouda H, Nakamura KT, Tanaka N (2015) Structural insights into the reaction mechanism of S-adenosyl-l-homocysteine hydrolase. Sci Rep 5:16641","journal-title":"Sci Rep"},{"key":"183_CR10","doi-asserted-by":"publisher","first-page":"2785","DOI":"10.1002\/jcc.21256","volume":"30","author":"GM Morris","year":"2009","unstructured":"Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, Olson AJ (2009) AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility. J Comput Chem 30:2785\u20132791","journal-title":"J Comput Chem"},{"key":"183_CR11","first-page":"116","volume":"1","author":"T Phillips","year":"2008","unstructured":"Phillips T (2008) The role of methylation in gene expression. Nat Educ 1:116","journal-title":"Nat Educ"},{"key":"183_CR12","doi-asserted-by":"publisher","first-page":"2134","DOI":"10.1110\/ps.038125.108","volume":"17","author":"MC Reddy","year":"2008","unstructured":"Reddy MC, Kuppan G, Shetty ND, Owen JL, Ioerger TR, Sacchettini JC (2008) Crystal structures of Mycobacterium tuberculosis S-adenosyl-l-homocysteine hydrolase in ternary complex with substrate and inhibitors. Protein Sci 17:2134\u20132144","journal-title":"Protein Sci"},{"key":"183_CR13","doi-asserted-by":"publisher","first-page":"13327","DOI":"10.1074\/jbc.RA118.003640","volume":"293","author":"JEO Rosling","year":"2018","unstructured":"Rosling JEO, Ridgway MC, Summers RL, Kirk K, Lehane AM (2018) Biochemical characterization and chemical inhibition of PfATP4-associated Na(+)-ATPase activity in Plasmodium falciparum membranes. J Biol Chem 293:13327\u201313337","journal-title":"J Biol Chem"},{"key":"183_CR14","first-page":"1","volume-title":"Frontiers in Computational Chemistry: Volume 4","author":"Dev Bukhsh Singh","year":"2018","unstructured":"Singh DB (2018) Natural lead compounds and strategies for optimization. In: Ul-Haq Z, Wilson AK (eds) Frontiers in computational chemistry, vol\u00a04. Bentham science, pp\u00a01\u201347"},{"key":"183_CR15","doi-asserted-by":"publisher","first-page":"107","DOI":"10.1007\/s12154-016-0155-7","volume":"9","author":"DB Singh","year":"2016","unstructured":"Singh DB, Dwivedi S (2016a) Structural insight into binding mode of inhibitor with SAHH of Plasmodium and human: interaction of curcumin with anti-malarial drug targets. J Chem Biol 9:107\u2013120","journal-title":"J Chem Biol"},{"key":"183_CR16","doi-asserted-by":"publisher","first-page":"16","DOI":"10.1007\/s13721-016-0124-7","volume":"5","author":"DB Singh","year":"2016","unstructured":"Singh DB, Dwivedi S (2016b) Docking and molecular dynamics simulation study of inhibitor 2-Fluoroaristeromycin with anti-malarial drug target PfSAHH. Netw Model Anal Health Inf Bioinf 5:16","journal-title":"Netw Model Anal Health Inf Bioinf"},{"key":"183_CR17","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1007\/s12539-013-0147-z","volume":"5","author":"DB Singh","year":"2013","unstructured":"Singh DB, Gupta MK, Singh DV, Singh SK, Misra K (2013) Docking and in silico ADMET studies of noraristeromycin, curcumin and its derivatives with Plasmodium falciparum SAH hydrolase: a molecular drug target against malaria. Interdiscip Sci 5:1\u201312","journal-title":"Interdiscip Sci"},{"key":"183_CR18","first-page":"26","volume":"3","author":"N Talsania","year":"2012","unstructured":"Talsania N, Modi K, Chaudhary P (2012) A Study of investigation report on death audit due to malaria in New Civil Hospital, Ahmedabad City, Gujarat, India. Healthline 3:26\u201329","journal-title":"Healthline"},{"key":"183_CR19","doi-asserted-by":"publisher","first-page":"3315","DOI":"10.1021\/jm051197e","volume":"49","author":"R Thomsen","year":"2006","unstructured":"Thomsen R, Christensen MH (2006) MolDock: a new technique for high-accuracy molecular docking. J Med Chem 49:3315\u20133321","journal-title":"J Med Chem"},{"key":"183_CR20","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","volume":"31","author":"O Trott","year":"2010","unstructured":"Trott O, Olson AJ (2010) AutoDock vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading. J Comput Chem 31:455\u2013461","journal-title":"J Comput Chem"},{"key":"183_CR21","doi-asserted-by":"publisher","first-page":"192","DOI":"10.1038\/nrd1032","volume":"2","author":"H Waterbeemd Van de","year":"2003","unstructured":"Van de Waterbeemd H, Gifford E (2003) ADMET in silico modelling: towards prediction paradise? Nat Rev Drug Discov 2:192\u2013204","journal-title":"Nat Rev Drug Discov"},{"key":"183_CR22","first-page":"635","volume":"8","author":"P Verma","year":"2016","unstructured":"Verma P, Singh DB, Gupta AK (2016) Designing and virtual screening of potential inhibitors of PFHGPRT against malaria. J Chem Pharm Res 8:635\u2013643","journal-title":"J Chem Pharm Res"},{"key":"183_CR23","doi-asserted-by":"publisher","first-page":"424","DOI":"10.1038\/nrd4573","volume":"14","author":"TNC Wells","year":"2015","unstructured":"Wells TNC, Hooft van Huijsduijnen R, Van Voorhis WC (2015) Malaria medicines: a glass half full? Nat Rev Drug Discov 14:424\u2013442","journal-title":"Nat Rev Drug Discov"},{"key":"183_CR24","doi-asserted-by":"publisher","first-page":"403","DOI":"10.1056\/NEJMoa1315860","volume":"371","author":"NJ White","year":"2014","unstructured":"White NJ, Pukrittayakamee S, Phyo AP, Rueangweerayut R, Nosten F, Jittamala P (2014) Spiroindolone KAE609 for falciparum and vivax malaria. N Engl J Med 371:403\u2013410","journal-title":"N Engl J Med"},{"key":"183_CR25","doi-asserted-by":"publisher","first-page":"444","DOI":"10.1016\/j.drudis.2010.03.013","volume":"15","author":"SY Yang","year":"2010","unstructured":"Yang SY (2010) Pharmacophore modeling and applications in drug discovery: challenges and recent advances. Drug Discov Today 15:444\u2013450","journal-title":"Drug Discov Today"}],"container-title":["Network Modeling Analysis in Health Informatics and Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s13721-019-0183-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s13721-019-0183-7\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s13721-019-0183-7.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,7,14]],"date-time":"2024-07-14T10:54:04Z","timestamp":1720954444000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s13721-019-0183-7"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,1,28]]},"references-count":25,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2019,12]]}},"alternative-id":["183"],"URL":"https:\/\/doi.org\/10.1007\/s13721-019-0183-7","relation":{},"ISSN":["2192-6662","2192-6670"],"issn-type":[{"value":"2192-6662","type":"print"},{"value":"2192-6670","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,1,28]]},"assertion":[{"value":"13 July 2018","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"28 December 2018","order":2,"name":"revised","label":"Revised","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"16 January 2019","order":3,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"28 January 2019","order":4,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Compliance with ethical standards"}},{"value":"All authors declare that they have no conflict of interest.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Conflict of interest"}}],"article-number":"4"}}