{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,4]],"date-time":"2026-11-04T03:45:49Z","timestamp":1793763949588,"version":"4.6.1"},"reference-count":70,"publisher":"MDPI AG","issue":"8","license":[{"start":{"date-parts":[[2010,8,9]],"date-time":"2010-08-09T00:00:00Z","timestamp":1281312000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Plasmodium falciparum, Leishmania, Trypanosomes, are the causers of diseases such as malaria, leishmaniasis and African trypanosomiasis that nowadays are the most serious parasitic health problems worldwide. The great number of deaths and the few drugs available against these parasites, make necessary the search for new drugs. Some of these antiparasitic drugs also are GSK-3 inhibitors. GSKI-3 are candidates to develop drugs for the treatment of Alzheimer\u2019s disease. In this work topological descriptors for a large series of 3,370 active\/non-active compounds were initially calculated with the ModesLab software. Linear Discriminant Analysis was used to fit the classification function and it predicts heterogeneous series of compounds like paullones, indirubins, meridians, etc. This study thus provided a general evaluation of these types of molecules.<\/jats:p>","DOI":"10.3390\/molecules15085408","type":"journal-article","created":{"date-parts":[[2010,8,9]],"date-time":"2010-08-09T11:13:47Z","timestamp":1281352427000},"page":"5408-5422","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":46,"title":["Using Topological Indices to Predict Anti-Alzheimer and Anti-Parasitic GSK-3 Inhibitors by Multi-Target QSAR in Silico Screening"],"prefix":"10.3390","volume":"15","author":[{"given":"Isela","family":"Garc\u00eda","sequence":"first","affiliation":[{"name":"Department of Organic Chemistry, Faculty of Chemistry, University of Vigo, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yagamare","family":"Fall","sequence":"additional","affiliation":[{"name":"Department of Organic Chemistry, Faculty of Chemistry, University of Vigo, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Generosa","family":"G\u00f3mez","sequence":"additional","affiliation":[{"name":"Department of Organic Chemistry, Faculty of Chemistry, University of Vigo, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2010,8,9]]},"reference":[{"key":"ref_1","first-page":"31","article-title":"Secretase inhibitors as therapeutics for Alzheimer\u2019s disease","volume":"35","author":"Olson","year":"2000","journal-title":"Annu. 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