{"id":1475,"date":"2021-09-22T16:53:13","date_gmt":"2021-09-22T19:53:13","guid":{"rendered":"https:\/\/nuevocindeca.quimica.unlp.edu.ar\/?page_id=1475"},"modified":"2024-02-28T13:13:35","modified_gmt":"2024-02-28T16:13:35","slug":"estudios-qspr-y-qsar-de-moleculas-de-interes-agronomico-farmacologico-y-para-el-medio-ambiente","status":"publish","type":"page","link":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/estudios-qspr-y-qsar-de-moleculas-de-interes-agronomico-farmacologico-y-para-el-medio-ambiente\/","title":{"rendered":"Estudios QSPR y QSAR de mol\u00e9culas de inter\u00e9s agron\u00f3mico, farmacol\u00f3gico y para el medio ambiente"},"content":{"rendered":"\t\t
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Investigador responsable<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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\n\t\t\t\t\t\n\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\tProf. Dr. Gustavo Romanelli<\/span>\n\t\t\t\t\t<\/span>\n\t\t\t\t\t<\/a>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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Investigador responsable externo<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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\n\t\t\t\t\t\n\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\tDr. Pablo Duchowicz <\/span>\n\t\t\t\t\t<\/span>\n\t\t\t\t\t<\/a>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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Integrantes externos<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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\n\t\t\t\t\t\n\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\tDra. Laura Saavedra<\/span>\n\t\t\t\t\t<\/span>\n\t\t\t\t\t<\/a>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t
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\n\t\t\t\t\t\n\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\tDr. Daniel Bacelo<\/span>\n\t\t\t\t\t<\/span>\n\t\t\t\t\t<\/a>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t
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En la presente l\u00ednea de investigaci\u00f3n se desarrollan m\u00e9todos computacionales para predecir propiedades de mol\u00e9culas biol\u00f3gicamente relevantes. Por ejemplo, compuestos de inter\u00e9s en agronom\u00eda, mol\u00e9culas con propiedades farmacol\u00f3gicas y contaminantes del ambiente entre otras.<\/span><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t

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\n\t\t\t\t\t\tContacto\t\t\t\t\t<\/p>\n\t\t\t\t\n\t\t\t<\/div>\n\t\t\t\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t

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Publicaciones<\/span><\/h2>

Alternative QSAR study for unsymmetrical aromatic disulfide anti-SARS inhibitors.\u00a0P. Duchowicz, S. Fioressi, G. Romanelli, D. Bacelo,\u00a0<\/span>International Journal of Quantitative Structure-Property Relationships<\/em>, 2021, 6(2) 47-57\u00a0<\/span>DOI:\u00a010.4018\/IJQSPR.2021040104<\/span><\/span><\/p>

The quantitative structure\u2013insecticidal activity relationships from plant derived compounds against chikungunya and zika Aedes aegypti (Diptera: Culicidae) vector.\u00a0L. Saavedra, G. Romanelli, C. Rozo, P. Duchowicz,\u00a0<\/span>Science of the Total Environment<\/em>, 2018, 610-611, 937-943\u00a0<\/span>https:\/\/doi.org\/10.1016\/j.scitotenv.2017.08.119<\/a><\/span><\/p>

QSAR analysis of plant-derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors,\u00a0L. Saavedra, P. Duchowicz, G. Romanelli,\u00a0<\/span>Pest Management Science,<\/em> 2018, 74, 1608-1615\u00a0<\/span>DOI:\u00a0<\/span>10.1002\/ps.4850<\/a><\/span><\/p>

QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors,\u00a0P. Duchowicz, D. Bacelo, S. Fioressi, V. Palermo, N. Ibezim, G. Romanelli,\u00a0<\/span>Medicinal Chemistry Research,<\/em> 2018, 27, 420-428\u00a0<\/span>DOI: 10.1007\/s00044-017-2069-5<\/span><\/span><\/p><\/td><\/tr><\/tbody><\/table>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"

Investigador responsable Prof. Dr. Gustavo Romanelli Investigador responsable externo Dr. Pablo Duchowicz Integrantes externos Dra. Laura Saavedra Dr. Daniel Bacelo En la presente l\u00ednea de investigaci\u00f3n se desarrollan m\u00e9todos computacionales para predecir propiedades de mol\u00e9culas biol\u00f3gicamente relevantes. Por ejemplo, compuestos de inter\u00e9s en agronom\u00eda, mol\u00e9culas con propiedades farmacol\u00f3gicas y contaminantes del ambiente entre otras. Contacto … <\/p>\n

Segu\u00ed leyendo “Estudios QSPR y QSAR de mol\u00e9culas de inter\u00e9s agron\u00f3mico, farmacol\u00f3gico y para el medio ambiente”<\/span><\/a><\/p>\n","protected":false},"author":8,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-1475","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/wp-json\/wp\/v2\/pages\/1475","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/wp-json\/wp\/v2\/users\/8"}],"replies":[{"embeddable":true,"href":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/wp-json\/wp\/v2\/comments?post=1475"}],"version-history":[{"count":31,"href":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/wp-json\/wp\/v2\/pages\/1475\/revisions"}],"predecessor-version":[{"id":7284,"href":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/wp-json\/wp\/v2\/pages\/1475\/revisions\/7284"}],"wp:attachment":[{"href":"https:\/\/cindeca.quimica.unlp.edu.ar\/index.php\/wp-json\/wp\/v2\/media?parent=1475"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}