Computer-guided total synthesis of natural products. Recent examples and Future perspectives
| dc.citation.title | Journal of the Brazilian Chemical Society | es |
| dc.citation.volume | 29(5) | es |
| dc.creator | Della-Felice, Franco | |
| dc.creator | Pilli, Ronaldo A. | |
| dc.creator | Sarotti, Ariel Marcelo | |
| dc.date.accessioned | 2020-12-17T18:41:41Z | |
| dc.date.available | 2020-12-17T18:41:41Z | |
| dc.date.issued | 2018-02-20 | |
| dc.description | Quantum chemical calculations of nuclear magnetic resonance (NMR) shifts and coupling constants have been extensively employed in recent years mainly to facilitate structural elucidation of organic molecules. When the results of such calculations are used to determine the most likely structure of a natural product in advance, guiding the subsequent synthetic work, the term “computer-guided synthesis” could be coined. This review article describes the most relevant examples from recent literature, highlighting the scope and limitations of this merged computational/experimental approach as well. | es |
| dc.description.fil | Fil: Della-Felice, Franco. Universidade Estadual de Campinas. Instituto de Química; Brazil. | es |
| dc.description.fil | Fil: Pilli, Ronaldo A. Universidade Estadual de Campinas. Instituto de Química; Brazil. | es |
| dc.description.fil | Fil: Sarotti, Ariel Marcelo. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario (IQUIR -CONICET); Argentina. | es |
| dc.description.sponsorship | Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP): grants 2013/07607-8, 2014/25474-8 y 2016/12541-4 | es |
| dc.description.sponsorship | Agencia Nacional de Promoción Científica y Tecnológica (ANPCyT) | es |
| dc.description.sponsorship | Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) | es |
| dc.description.sponsorship | Universidad Nacional de Rosario (UNR) | es |
| dc.format | application/pdf | |
| dc.format.extent | 1041-1075 | es |
| dc.identifier.issn | 1678-4790 | es |
| dc.identifier.uri | http://hdl.handle.net/2133/19503 | |
| dc.language.iso | eng | es |
| dc.publisher | Sociedade Brasileira de Química | es |
| dc.relation.publisherversion | https://doi.org/10.21577/0103-5053.20180027 | es |
| dc.relation.publisherversion | http://static.sites.sbq.org.br/jbcs.sbq.org.br/pdf/2017-0494RV_IUPAC.pdf | es |
| dc.rights | openAccess | es |
| dc.rights.holder | Universidad Nacional de Rosario | es |
| dc.rights.holder | Sociedade Brasileira de Química | es |
| dc.rights.holder | Della-Felice, Franco | es |
| dc.rights.holder | Pilli, Ronaldo A. | es |
| dc.rights.holder | Sarotti, Ariel Marcelo | es |
| dc.rights.text | Attribution 4.0 International (CC BY 4.0) | es |
| dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | * |
| dc.subject | Total Synthesis | es |
| dc.subject | Biological Products | es |
| dc.subject | Computational Chemistry | es |
| dc.subject | NMR Calculations | es |
| dc.subject | GIAO NMR Calculations | es |
| dc.title | Computer-guided total synthesis of natural products. Recent examples and Future perspectives | es |
| dc.type | article | |
| dc.type | artículo | |
| dc.type | publishedVersion | |
| dc.type.collection | articulo | |
| dc.type.version | publishedVersion | es |