Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Cleverson C. Bocca"'
Autor:
Nelci Fenalti Höehr, Glaucia M.S. Pinheiro, Layara A. Abiko, Cleverson C. Bocca, Ernani A. Basso, Roberto Rittner
Publikováno v:
Journal of Molecular Structure. 983:194-199
This work presents a detailed theoretical and experimental study on the inhibitory properties of 2- N,N -dimethylaminecyclohexyl 1- N′,N′ -dimethylcarbamate isomers and their methylsulfate salts against the cholinesterases enzymes. The in vitro i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::61af2595b52f6ec95483f01c0b1e1b1d
https://doi.org/10.1016/j.molstruc.2010.09.002
https://doi.org/10.1016/j.molstruc.2010.09.002
Publikováno v:
Journal of Physical Organic Chemistry. 24:241-248
Transition state (TS) structures for the reduction of 2-Me and 2-i-Pr-cyclohexanone by LiAlH4 were optimized by density functional theory (B3LYP/6-31G(d,p)). Four TS structures corresponding to axial and equatorial attacks by LiAlH4 were located for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::157117cc65bf6cc7d35ae5a433b5db5b
https://doi.org/10.1002/poc.1734
https://doi.org/10.1002/poc.1734
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 815:75-81
Studies on the spatial structure, through theoretical calculations, of the main four metabolites from Dipyrone (4-methyl-amino-antipyrine, 4-amino-antipyrine, 4-acetyl-amino-antipyrine and 4-formyl-amino-antipyrine), are reported. The potential energ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9df210ac2c5867ac3b3bc0dea53dca6d
https://doi.org/10.1016/j.theochem.2007.03.022
https://doi.org/10.1016/j.theochem.2007.03.022
Autor:
Cleverson C. Bocca, Cláudio F. Tormena, Francisco Prado Eugenio dos Santos, Barbara C. Fiorin, Ernani A. Basso
Publikováno v:
The Journal of Physical Chemistry A. 110:9438-9442
Studies on the conformational equilibria of 2-methoxy, 2-methylthio, and 2-methylselenocyclohexanol are reported. Dynamic NMR spectroscopy experiments at 203-210 K were performed, which provided the percentages of each conformer in equilibrium. Theor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d174ce1632df7a872be45c1fa005791
https://doi.org/10.1021/jp061502n
https://doi.org/10.1021/jp061502n
Publikováno v:
Journal of Molecular Structure. 754:45-50
The cis and trans-methyl-1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydro-9H-β-carboline-3-carboxylates were prepared and 1H and 13C NMR spectra were recorded for both isomers. Conformational and NBO analysis were carried out for the cis and trans i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::943f450be5e9a2b99e839f491524e275
https://doi.org/10.1016/j.molstruc.2005.06.022
https://doi.org/10.1016/j.molstruc.2005.06.022
Publikováno v:
Chemical Physics Letters. 413:434-439
Transition state (TS) structures for the reduction of 2-methoxy, 2-methylthio, and 2-methylselenocyclohexanone by LiAlH 4 were optimized by density functional theory (B3LYP/6-31G(d,p)). Four transition state structures corresponding to the axial and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::176dc11319c54a0f067f9ae0d75d6f03
https://doi.org/10.1016/j.cplett.2005.08.025
https://doi.org/10.1016/j.cplett.2005.08.025
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 710:105-110
The influence of hyperconjugative interactions on bond lengths of some allylic compounds (H 2 C CH–CH 2 –M(CH 3 ) 3 ; M=C, Si, Ge) has been investigated through NBO calculations using ab initio and density functional methods. The optimized struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e561186d445d575d19fdf135063b8e70
https://doi.org/10.1016/j.theochem.2004.08.033
https://doi.org/10.1016/j.theochem.2004.08.033
Autor:
Cleverson C. Bocca, Roberto Rittner, Nelci Fenalti Höehr, João Carvalho, Ana Lúcia Tasca Gois Ruiz, Andre Nazario de Oliveira, Thiago P. Silva
Publikováno v:
European journal of medicinal chemistry. 45(9)
The arylquinazolines represent significant advances in the clinical management of breast cancer. Nevertheless some confirmatory studies must be considered to foster the use of anti-EGFR therapies including safety and clinical use. Two 4-arylaminoquin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8bc065e1304ae782fd54974303b73beb
https://pubmed.ncbi.nlm.nih.gov/20627376
https://pubmed.ncbi.nlm.nih.gov/20627376
Autor:
Tânia Ueda Nakamura, Celso Vataru Nakamura, Ernani A. Basso, Valéria Aquilino Barbosa, Cleverson C. Bocca, Lilian Tatiani Düsman Tonin, Willian Ferreira da Costa, Maria Helena Sarragiotto, Érika R.F. Ramos
Publikováno v:
European journal of medicinal chemistry. 44(4)
The cis and trans isomers of methyl 1-(m-nitro)phenyl and 1-(p-nitro)phenyl-1,2,3,4-tetrahydro-9H-beta-carboline-3-carboxylates (compounds 3a,b, 4a and b) were synthesized and evaluated in vitro against epimastigote forms of Trypanosoma cruzi. Among
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e79d1af81192efda191baf2e262e4bc6
https://pubmed.ncbi.nlm.nih.gov/18504061
https://pubmed.ncbi.nlm.nih.gov/18504061
Autor:
M. H. Sarragiotto, Tereza Cristina Marinho Jorge, Cleverson C. Bocca, Maria Conceição de Souza, Lilian Tatiani Düsman, Ernani A. Basso, Eduardo C. Meurer, Marcos N. Eberlin
Publikováno v:
Journal of natural products. 67(11)
Two new monoterpene indole alkaloids, named croceaines A (1) and B (2), were isolated from the leaves of Palicourea crocea. The structures of 1 and 2 were elucidated by means of spectroscopic methods.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::82ba85d45a663ef558c6afb507fac064
https://pubmed.ncbi.nlm.nih.gov/15568782
https://pubmed.ncbi.nlm.nih.gov/15568782