Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/355365
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dc.contributor.CRUESPUNIVERSIDADE ESTADUAL DE CAMPINASpt_BR
dc.contributor.authorunicampKawano, Daniel Fábio-
dc.typeArtigopt_BR
dc.titleUsing free computational resources to illustrate the drug design process in an undergraduate medicinal chemistry coursept_BR
dc.contributor.authorRodrigues, Ricardo P.-
dc.contributor.authorAndrade, Saulo F.-
dc.contributor.authorMantoani, Susimaire P.-
dc.contributor.authorEifler-Lima, Vera L.-
dc.contributor.authorSilva, Vinicius B.-
dc.contributor.authorKawano, Daniel F.-
dc.subjectModelagem molecularpt_BR
dc.subject.otherlanguageMolecular modelingpt_BR
dc.description.abstractAdvances in, and dissemination of, computer technologies in the field of drug research now enable the use of molecular modeling tools to teach important concepts of drug design to chemistry and pharmacy students. A series of computer laboratories is described to introduce undergraduate students to commonly adopted in silico drug design methods, such as molecular geometry optimization, pharmacophore modeling, protein−ligand docking simulations, homology modeling, virtual screening, and pharmacokinetics/toxicity predictions. Freely available software and web servers are selected to compose this pedagogical resource, such that it can be easily implemented in any institution equipped with an Internet connection and Windows OS computers. This material is an illustration of a drug discovery pipeline, starting from the structure of known drugs to obtain novel bioactive compounds, and, therefore, is a valid pedagogical instrument for educating future professionals in the field of drug developmentpt_BR
dc.relation.ispartofJournal of chemical educationpt_BR
dc.relation.ispartofabbreviationJ. chem. educ.pt_BR
dc.publisher.cityWashington, DCpt_BR
dc.publisher.countryEstados Unidospt_BR
dc.publisherAmerican Chemical Societypt_BR
dc.date.issued2015-
dc.date.monthofcirculationFeb.pt_BR
dc.language.isoengpt_BR
dc.description.volume92pt_BR
dc.description.issuenumber5pt_BR
dc.description.firstpage827pt_BR
dc.description.lastpage835pt_BR
dc.rightsFechadopt_BR
dc.sourceWOSpt_BR
dc.identifier.issn0021-9584pt_BR
dc.identifier.eissn1938-1328pt_BR
dc.identifier.doi10.1021/ed500195dpt_BR
dc.identifier.urlhttps://pubs.acs.org/doi/abs/10.1021/ed500195dpt_BR
dc.description.sponsorshipCONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQpt_BR
dc.description.sponsorshipCOORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPESpt_BR
dc.description.sponsorshipFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DO RIO GRANDE DO SUL - FAPERGSpt_BR
dc.description.sponsorshipFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE Spt_BR
dc.description.sponsordocumentnumberNão tempt_BR
dc.description.sponsordocumentnumberNão tempt_BR
dc.description.sponsordocumentnumberNão tempt_BR
dc.description.sponsordocumentnumberNão tempt_BR
dc.date.available2021-02-08T18:13:44Z-
dc.date.accessioned2021-02-08T18:13:44Z-
dc.description.provenanceSubmitted by Susilene Barbosa da Silva (susilene@unicamp.br) on 2021-02-08T18:13:44Z No. of bitstreams: 0. Added 1 bitstream(s) on 2021-05-24T19:06:55Z : No. of bitstreams: 1 000355057300010.pdf: 1960709 bytes, checksum: 24b09078a0edbc320c434d28ac7c8121 (MD5)en
dc.description.provenanceMade available in DSpace on 2021-02-08T18:13:44Z (GMT). No. of bitstreams: 0 Previous issue date: 2015en
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/355365-
dc.contributor.departmentSem informaçãopt_BR
dc.contributor.unidadeFaculdade de Ciências Farmacêuticaspt_BR
dc.identifier.source000355057300010pt_BR
dc.creator.orcid0000-0002-4651-3472pt_BR
dc.type.formArtigopt_BR
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