Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives

Detalhes bibliográficos
Autor(a) principal: Della-Felice,Franco
Data de Publicação: 2018
Outros Autores: Pilli,Ronaldo A., Sarotti,Ariel M.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532018000501041
Resumo: 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.
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spelling Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectivestotal synthesisnatural productsNMR calculationscomputational chemistryGIAOQuantum 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.Sociedade Brasileira de Química2018-05-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532018000501041Journal of the Brazilian Chemical Society v.29 n.5 2018reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0103-5053.20180027info:eu-repo/semantics/openAccessDella-Felice,FrancoPilli,Ronaldo A.Sarotti,Ariel M.eng2018-07-04T00:00:00Zoai:scielo:S0103-50532018000501041Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2018-07-04T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives
title Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives
spellingShingle Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives
Della-Felice,Franco
total synthesis
natural products
NMR calculations
computational chemistry
GIAO
title_short Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives
title_full Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives
title_fullStr Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives
title_full_unstemmed Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives
title_sort Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives
author Della-Felice,Franco
author_facet Della-Felice,Franco
Pilli,Ronaldo A.
Sarotti,Ariel M.
author_role author
author2 Pilli,Ronaldo A.
Sarotti,Ariel M.
author2_role author
author
dc.contributor.author.fl_str_mv Della-Felice,Franco
Pilli,Ronaldo A.
Sarotti,Ariel M.
dc.subject.por.fl_str_mv total synthesis
natural products
NMR calculations
computational chemistry
GIAO
topic total synthesis
natural products
NMR calculations
computational chemistry
GIAO
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.
publishDate 2018
dc.date.none.fl_str_mv 2018-05-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
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status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532018000501041
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532018000501041
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.21577/0103-5053.20180027
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Journal of the Brazilian Chemical Society v.29 n.5 2018
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
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reponame_str Journal of the Brazilian Chemical Society (Online)
collection Journal of the Brazilian Chemical Society (Online)
repository.name.fl_str_mv Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv ||office@jbcs.sbq.org.br
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