{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,14]],"date-time":"2026-02-14T01:07:58Z","timestamp":1771031278366,"version":"3.50.1"},"reference-count":38,"publisher":"Springer Science and Business Media LLC","issue":"2","license":[{"start":{"date-parts":[[2010,10,8]],"date-time":"2010-10-08T00:00:00Z","timestamp":1286496000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Mol Divers"],"published-print":{"date-parts":[[2011,5]]},"DOI":"10.1007\/s11030-010-9280-3","type":"journal-article","created":{"date-parts":[[2010,10,7]],"date-time":"2010-10-07T00:16:07Z","timestamp":1286410567000},"page":"561-567","source":"Crossref","is-referenced-by-count":51,"title":["First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines"],"prefix":"10.1007","volume":"15","author":[{"given":"Isela","family":"Garc\u00eda","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yagamare","family":"Fall","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Generosa","family":"G\u00f3mez","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Humberto","family":"Gonz\u00e1lez-D\u00edaz","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2010,10,8]]},"reference":[{"key":"9280_CR1","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1016\/S0065-7743(00)35005-9","volume":"35","author":"RE Olson","year":"2000","unstructured":"Olson RE (2000) Secretase inhibitors as therapeutics for Alzheimer\u2019s disease. Ann Rep Med Chem 35: 31\u201340. doi: 10.1016\/S0065-7743(00)35005-9","journal-title":"Ann Rep Med Chem"},{"key":"9280_CR2","doi-asserted-by":"crossref","first-page":"2431","DOI":"10.1002\/j.1460-2075.1990.tb07419.x","volume":"9","author":"JR Woodgett","year":"1990","unstructured":"Woodgett JR (1990) Molecular cloning and expression of glycogen synthase kinase-3\/factor A. EMBO J 9: 2431\u20132438","journal-title":"EMBO J"},{"key":"9280_CR3","doi-asserted-by":"crossref","first-page":"564","DOI":"10.1016\/0076-6879(91)00172-S","volume":"200","author":"JR Woodgett","year":"1991","unstructured":"Woodgett JR (1991) cDNA cloning and properties of glycogen synthase kinase-3 methods. Enzymol 200: 564\u2013577. doi: 10.1016\/0076-6879(91)00172-S","journal-title":"Enzymol"},{"key":"9280_CR4","doi-asserted-by":"crossref","first-page":"2527","DOI":"10.1021\/cr000110o","volume":"101","author":"A Ali","year":"2001","unstructured":"Ali A, Hoeflich KP, Woodgett JR (2001) Glycogen synthase kinase-3: properties, functions, and regulation. Chem Rev 101: 2527\u20132540. doi: 10.1021\/cr000110o","journal-title":"Chem Rev"},{"issue":"3","key":"9280_CR5","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1093\/oxfordjournals.jbchem.a122465","volume":"104","author":"K Ishiguro","year":"1988","unstructured":"Ishiguro K, Ihara Y, Uchida T, Imahori K (1988) A novel tubulin-dependent protein kinase forming a paired helical filament epitope on tau. J BioChem 104(3): 319\u2013321","journal-title":"J BioChem"},{"key":"9280_CR6","doi-asserted-by":"crossref","first-page":"488","DOI":"10.1016\/j.pt.2003.09.002","volume":"19","author":"AH Fairlamb","year":"2003","unstructured":"Fairlamb AH (2003) Chemotherapy on human African trypanosomiasis: current and future prospects. Trends Parasitol 19: 488\u2013494. doi: 10.1016\/j.pt.2003.09.002","journal-title":"Trends Parasitol"},{"key":"9280_CR7","first-page":"147","volume":"1114","author":"SE Plyte","year":"1992","unstructured":"Plyte SE, Hughes K, Nilkolakaki E, Pulverer BJ, Woodgett JR (1992) Glycogen synthase kinase-3: functions in oncogenesis and development. Biochim Biophys Acta 1114: 147\u2013162. doi: 10.1016\/0304-419X(92)90012-N","journal-title":"Biochim Biophys Acta"},{"key":"9280_CR8","doi-asserted-by":"crossref","first-page":"3710","DOI":"10.1128\/AAC.00364-08","volume":"52","author":"KK Ojo","year":"2008","unstructured":"Ojo KK, Gillespie RG, Riechers A, Napuli AJ, Verlinde CL, Buckner FS et\u00a0al (2008) Glycogen synthase kinase 3 is a potential drug target for african trypanosomiasis therapy.AntimicrobAgents Chemother 3710\u20133717","journal-title":"Antimicrob Agents Chemother"},{"key":"9280_CR9","doi-asserted-by":"crossref","DOI":"10.1007\/3-540-45396-2","volume-title":"Stochastic processes in physics, chemistry, and biology (lecture notes in physics)","author":"JA Freund","year":"2000","unstructured":"Freund JA, Poschel T (2000) Stochastic processes in physics, chemistry, and biology (lecture notes in physics). Springer-Verlag, Berlin"},{"key":"9280_CR10","doi-asserted-by":"crossref","first-page":"1573","DOI":"10.2174\/0929867013371923","volume":"8","author":"E Estrada","year":"2001","unstructured":"Estrada E, Uriarte E (2001) Recent advances on the role of topological indices in drug discovery research. Curr Med Chem 8: 1573\u20131588. doi: 10.2174\/0929867013371923","journal-title":"Curr Med Chem"},{"key":"9280_CR11","doi-asserted-by":"crossref","first-page":"1975","DOI":"10.1021\/jm991172d","volume":"43","author":"E Estrada","year":"2001","unstructured":"Estrada E, Uriarte E, Montero A, Teijeira M, Santana L, De Clercq E (2001) A novel approach for the virtual screening and rational design of anticancer compounds. J Med Chem 43: 1975\u20131985","journal-title":"J Med Chem"},{"key":"9280_CR12","doi-asserted-by":"crossref","first-page":"4051","DOI":"10.1016\/j.ejmech.2009.04.040","volume":"44","author":"FJ Prado-Prado","year":"2009","unstructured":"Prado-Prado FJ, Borges F, Perez-Montoto LG, Gonzalez-Diaz H (2009) Multi-target spectral moment: QSAR for antifungal drugs vs. different fungi species. Eur J Med Chem 44: 4051\u20134056. doi: 10.1016\/j.ejmech.2009.04.040","journal-title":"Eur J Med Chem"},{"key":"9280_CR13","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1007\/s00894-004-0228-3","volume":"11","author":"H Gonz\u00e1lez-D\u00edaz","year":"2005","unstructured":"Gonz\u00e1lez-D\u00edaz H, Torres-Gomez LA, Guevara Y, Almeida MS, Molina R, Castanedo N et\u00a0al (2005) Markovian chemicals \u201cin silico\u201d design (MARCH-INSIDE), a promising approach for computer-aided molecular design III: 2.5D indices for the discovery of antibacterials. J Mol Model 11: 116\u2013123. doi: 10.1007\/s00894-004-0228-3","journal-title":"J Mol Model"},{"key":"9280_CR14","doi-asserted-by":"crossref","first-page":"1676","DOI":"10.2174\/156802608786786543","volume":"8","author":"H Gonzalez-D\u00edaz","year":"2008","unstructured":"Gonzalez-D\u00edaz H, Prado-Prado F, Ubeira FM (2008) Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach. Curr Top Med Chem 8: 1676\u20131690. doi: 10.2174\/156802608786786543","journal-title":"Curr Top Med Chem"},{"key":"9280_CR15","doi-asserted-by":"crossref","first-page":"1149","DOI":"10.1021\/jm0509849","volume":"49","author":"L Santana","year":"2006","unstructured":"Santana L, Uriarte E, Gonz\u00e1lez-D\u00edaz H, Zagotto G, Soto-Otero R, Mendez-Alvarez E (2006) A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. J Med Chem 49: 1149\u20131156. doi: 10.1021\/jm0509849","journal-title":"J Med Chem"},{"key":"9280_CR16","doi-asserted-by":"crossref","first-page":"4372","DOI":"10.1021\/pr9003163","volume":"8","author":"R Concu","year":"2009","unstructured":"Concu R, Dea-Ayuela MA, Perez-Montoto LG, Bolas-Fernandez F, Prado-Prado FJ, Podda G et\u00a0al (2009) Prediction of enzyme classes from 3D structure: a general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins. J Proteome Res 8: 4372\u20134382. doi: 10.1021\/pr9003163","journal-title":"J Proteome Res"},{"key":"9280_CR17","first-page":"271","volume-title":"Standardized multiple regression model. Applied linear statistical models","author":"MH Kutner","year":"2005","unstructured":"Kutner MH, Nachtsheim CJ, Neter J, Li W (2005) Standardized multiple regression model. Applied linear statistical models, 5th edn. McGraw Hill, New York, pp 271\u2013277","edition":"5"},{"key":"9280_CR18","volume-title":"The Merck Index","author":"Ca Hall","year":"1996","unstructured":"Hall Ca (1996) The Merck Index, 12th ed. Merck & Co, New Jersey","edition":"12"},{"key":"9280_CR19","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1002\/9783527615452","volume-title":"Chemometric methods in molecular design","author":"H Van Waterbeemd","year":"1995","unstructured":"Van Waterbeemd H (1995) Discriminant analysis for activity prediction. In: Van Waterbeemd H (ed) Chemometric methods in molecular design. Wiley-VCH, New York, pp 265\u2013282"},{"key":"9280_CR20","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1186\/1476-9255-6-26","volume":"6","author":"VR Konda","year":"2009","unstructured":"Konda VR, Desai A, Darland G, Bland JS, Tripp ML (2009) Rho iso-alpha acids from hops inhibit the GSK-3\/NF-kappaB pathway and reduce inflammatory markers associated with bone and cartilage degradation. J inflamm (Lond) 6: 26\u201334. doi: 10.1186\/1476-9255-6-26","journal-title":"J inflamm (Lond)"},{"key":"9280_CR21","doi-asserted-by":"crossref","first-page":"4932","DOI":"10.1016\/j.bmc.2008.03.034","volume":"16","author":"U Jacquemard","year":"2008","unstructured":"Jacquemard U, Dias N, Lansiaux A, Bailly C, Loge C, Robert JM et\u00a0al (2008) Synthesis of 3,5-bis(2-indolyl)pyridine and 3-[(2-indolyl)-5-phenyl]pyridine derivatives as CDK inhibitors and cytotoxic agents. Bioorg Med Chem 16: 4932\u20134953","journal-title":"Bioorg Med Chem"},{"key":"9280_CR22","doi-asserted-by":"crossref","first-page":"3333","DOI":"10.1021\/jm021095d","volume":"46","author":"PH Olesen","year":"2003","unstructured":"Olesen PH, Sorensen AR, Urso B, Kurtzhals P, Bowler AN, Ehrbar U et\u00a0al (2003) Synthesis and in vitro characterization of 1-(4-aminofurazan-3-yl)-5-dialkylaminomethyl-1H-[1,2,3]triazole-4-carboxyl ic acid derivatives. A new class of selective GSK-3 inhibitors. J Med Chem 46: 3333\u20133341. doi: 10.1021\/jm021095d","journal-title":"J Med Chem"},{"key":"9280_CR23","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1016\/j.ijpharm.2004.03.012","volume":"278","author":"C Calabuig","year":"2004","unstructured":"Calabuig C, Anton-Fos GM, Galvez J, Garcia-Domenech R (2004) New hypoglycaemic agents selected by molecular topology. Int J Pharm 278: 111\u2013118. doi: 10.1016\/j.ijpharm.2004.03.012","journal-title":"Int J Pharm"},{"key":"9280_CR24","doi-asserted-by":"crossref","first-page":"178","DOI":"10.1021\/ci9900480","volume":"40","author":"RA Cercos-del-Pozo","year":"2000","unstructured":"Cercos-del-Pozo RA, Perez-Gimenez F, Salabert-Salvador MT, Garcia-March FJ (2000) Discrimination and molecular design of new theoretical hypolipaemic agents using the molecular connectivity functions. J Chem Inf Comput Sci 40: 178\u2013184. doi: 10.1021\/ci9900480","journal-title":"J Chem Inf Comput Sci"},{"key":"9280_CR25","doi-asserted-by":"crossref","first-page":"375","DOI":"10.1016\/S1093-3263(02)00184-5","volume":"21","author":"M Murcia-Soler","year":"2003","unstructured":"Murcia-Soler M, Perez-Gimenez F, Garcia-March FJ, Salabert-Salvador MT, Diaz-Villanueva W, Medina-Casamayor P (2003) Discrimination and selection of new potential antibacterial compounds using simple topological descriptors. J Mol Graph Model 21: 375\u2013390. doi: 10.1016\/S1093-3263(02)00184-5","journal-title":"J Mol Graph Model"},{"key":"9280_CR26","doi-asserted-by":"crossref","first-page":"1194","DOI":"10.1021\/ci0255331","volume":"42","author":"E Estrada","year":"2002","unstructured":"Estrada E, Vilar S, Uriarte E, Gutierrez Y (2002) In silico studies toward the discovery of new anti-HIV nucleoside compounds with the use of TOPS-MODE and 2D\/3D connectivity indices. 1. Pyrimidyl derivatives. J Chem Inf Comput Sci 42: 1194\u20131203. doi: 10.1021\/ci0255331","journal-title":"J Chem Inf Comput Sci"},{"key":"9280_CR27","doi-asserted-by":"crossref","first-page":"869","DOI":"10.1021\/ci025501d","volume":"42","author":"MT Cronin","year":"2002","unstructured":"Cronin MT, Aptula AO, Dearden JC, Duffy JC, Netzeva TI, Patel H et\u00a0al (2002) Structure-based classification of antibacterial activity. J Chem Inf Comput Sci 42: 869\u2013878. doi: 10.1021\/ci025501d","journal-title":"J Chem Inf Comput Sci"},{"key":"9280_CR28","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1002\/jcc.21292","volume":"31","author":"FJ Prado-Prado","year":"2010","unstructured":"Prado-Prado FJ, Ubeira FM, Borges F, Gonzalez-Diaz H (2010) Unified QSAR & network-based computational chemistry approach to antimicrobials. II. Multiple distance and triadic census analysis of antiparasitic drugs complex networks. J Comput Chem 31: 164\u2013173. doi: 10.1002\/jcc.21292","journal-title":"J Comput Chem"},{"key":"9280_CR29","doi-asserted-by":"crossref","first-page":"569","DOI":"10.1016\/j.bmc.2008.11.075","volume":"17","author":"FJ Prado-Prado","year":"2009","unstructured":"Prado-Prado FJ, Martinez de la Vega O, Uriarte E, Ubeira FM, Chou KC, Gonzalez-Diaz H (2009) Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks. Bioorg Med Chem 17: 569\u2013575. doi: 10.1016\/j.bmc.2008.11.075","journal-title":"Bioorg Med Chem"},{"key":"9280_CR30","doi-asserted-by":"crossref","first-page":"1630","DOI":"10.1021\/tx0498253","volume":"17","author":"T Oberg","year":"2004","unstructured":"Oberg T (2004) A QSAR for baseline toxicity: validation, domain of application, and prediction. Chem Res Toxicol 17: 1630\u20131637. doi: 10.1021\/tx0498253","journal-title":"Chem Res Toxicol"},{"key":"9280_CR31","doi-asserted-by":"crossref","first-page":"694","DOI":"10.1002\/qsar.200610151","volume":"26","author":"P Gramatica","year":"2007","unstructured":"Gramatica P (2007) Principles of QSAR models validation: internal and external. QSAR Comb Sci 26: 694\u2013701. doi: 10.1002\/qsar.200610151","journal-title":"QSAR Comb Sci"},{"key":"9280_CR32","doi-asserted-by":"crossref","first-page":"1361","DOI":"10.1289\/ehp.5758","volume":"111","author":"L Eriksson","year":"2003","unstructured":"Eriksson L, Jaworska J, Worth AP, Cronin MT, McDowell RM, Gramatica P (2003) Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs. Environ Health Perspect 111: 1361\u20131375. doi: 10.1289\/ehp.5758","journal-title":"Environ Health Perspect"},{"key":"9280_CR33","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1002\/qsar.200390007","volume":"22","author":"A Tropsha","year":"2003","unstructured":"Tropsha A, Gramatica P, Gombar VK (2003) The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models. QSAR Comb Sci 22: 69\u201377. doi: 10.1002\/qsar.200390007","journal-title":"QSAR Comb Sci"},{"key":"9280_CR34","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1007\/s11030-009-9115-2","volume":"13","author":"G Melagraki","year":"2009","unstructured":"Melagraki G, Afantitis A, Sarimveis H, Koutentis PA, Kollias G, Igglessi-Markopoulou O (2009) Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors. Mol Divers. 13: 301\u2013311. doi: 10.1007\/s11030-009-9115-2","journal-title":"Mol Divers."},{"key":"9280_CR35","doi-asserted-by":"crossref","unstructured":"Li J, Gramatica P (2009) The importance of molecular structures, endpoints\u2019 values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders. Mol Divers. doi: 10.1007\/s11030-009-9212-2","DOI":"10.1007\/s11030-009-9212-2"},{"key":"9280_CR36","doi-asserted-by":"crossref","first-page":"1256","DOI":"10.1021\/ci050212l","volume":"45","author":"E Papa","year":"2005","unstructured":"Papa E, Villa F, Gramatica P (2005) Statistically validated QSARs, based on theoretical descriptors, for modeling aquatic toxicity of organic chemicals in Pimephales promelas (fathead minnow). J Chem Inf Model 45: 1256\u20131266. doi: 10.1021\/ci050212l","journal-title":"J Chem Inf Model"},{"key":"9280_CR37","doi-asserted-by":"crossref","first-page":"1540","DOI":"10.1021\/tx0601509","volume":"19","author":"H Liu","year":"2006","unstructured":"Liu H, Papa E, Gramatica P (2006) QSAR prediction of estrogen activity for a large set of diverse chemicals under the guidance of OECD principles. Chem Res Toxicol 19: 1540\u20131548. doi: 10.1021\/tx0601509","journal-title":"Chem Res Toxicol"},{"key":"9280_CR38","doi-asserted-by":"crossref","first-page":"755","DOI":"10.1016\/j.jmgm.2006.06.005","volume":"25","author":"P Gramatica","year":"2006","unstructured":"Gramatica P, Giani E, Papa E (2006) Statistical external validation and consensus modeling: a QSPR case study for K(oc) prediction. J Mol Graph Model 25: 755\u2013766. doi: 10.1016\/j.jmgm.2006.06.005","journal-title":"J Mol Graph Model"}],"container-title":["Molecular Diversity"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s11030-010-9280-3.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s11030-010-9280-3\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s11030-010-9280-3","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,6,5]],"date-time":"2019-06-05T04:42:41Z","timestamp":1559709761000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s11030-010-9280-3"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,10,8]]},"references-count":38,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2011,5]]}},"alternative-id":["9280"],"URL":"https:\/\/doi.org\/10.1007\/s11030-010-9280-3","relation":{},"ISSN":["1381-1991","1573-501X"],"issn-type":[{"value":"1381-1991","type":"print"},{"value":"1573-501X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,10,8]]}}}