-
Je něco špatně v tomto záznamu ?
Synthesis and docking studies of three new diaminochromenes as potential leads for anticancer drugs
MO. Tonelli Nogueira, JSFD. Almeida, TCC. Franca, JD. Figueroa-Villar
Jazyk angličtina Země Anglie, Velká Británie
Typ dokumentu časopisecké články
- MeSH
- DNA MeSH
- magnetická rezonanční spektroskopie MeSH
- protinádorové látky * farmakologie MeSH
- simulace molekulového dockingu MeSH
- Publikační typ
- časopisecké články MeSH
In this work, the new diaminochromenes: 2,5-dimono-8-methoxychromeno[4,3,2-de][1,6]naphthyridine-4-carbonitrile (4), 8-ethoxy-2-imino-3,4-dihydro-2H-chromene-3-carbonitrile-4-malononitrile (5), 2,5-diamino-8-ethoxychromene[4,3,2-de][1,6]naphthyridine-4-carbonotrile (6), were synthesized and fully characterized through 600 MHz using 1H, 13C, APT, gHSQC, gHMBC, ROESY-1D and gated decoupling 13C. Further docking studies suggested that these compounds are capable of intercalating with the Drew-Dickerson Dodecamer DNA and, therefore, be candidates to work as effective compounds to decrease the cancer radiotherapy.Communicated by Ramaswamy H. Sarma.
Citace poskytuje Crossref.org
- 000
- 00000naa a2200000 a 4500
- 001
- bmc23004975
- 003
- CZ-PrNML
- 005
- 20230425171828.0
- 007
- ta
- 008
- 230418s2021 enk f 000 0|eng||
- 009
- AR
- 024 7_
- $a 10.1080/07391102.2020.1784284 $2 doi
- 035 __
- $a (PubMed)32597332
- 040 __
- $a ABA008 $b cze $d ABA008 $e AACR2
- 041 0_
- $a eng
- 044 __
- $a enk
- 100 1_
- $a Tonelli Nogueira, Mariana de Oliveira $u Medicinal Chemistry Group, Department of Chemistry, Military Institute of Engineering, Rio de Janeiro, RJ, Brazil $1 https://orcid.org/000000025172619X
- 245 10
- $a Synthesis and docking studies of three new diaminochromenes as potential leads for anticancer drugs / $c MO. Tonelli Nogueira, JSFD. Almeida, TCC. Franca, JD. Figueroa-Villar
- 520 9_
- $a In this work, the new diaminochromenes: 2,5-dimono-8-methoxychromeno[4,3,2-de][1,6]naphthyridine-4-carbonitrile (4), 8-ethoxy-2-imino-3,4-dihydro-2H-chromene-3-carbonitrile-4-malononitrile (5), 2,5-diamino-8-ethoxychromene[4,3,2-de][1,6]naphthyridine-4-carbonotrile (6), were synthesized and fully characterized through 600 MHz using 1H, 13C, APT, gHSQC, gHMBC, ROESY-1D and gated decoupling 13C. Further docking studies suggested that these compounds are capable of intercalating with the Drew-Dickerson Dodecamer DNA and, therefore, be candidates to work as effective compounds to decrease the cancer radiotherapy.Communicated by Ramaswamy H. Sarma.
- 650 12
- $a protinádorové látky $x farmakologie $7 D000970
- 650 _2
- $a DNA $7 D004247
- 650 _2
- $a magnetická rezonanční spektroskopie $7 D009682
- 650 _2
- $a simulace molekulového dockingu $7 D062105
- 655 _2
- $a časopisecké články $7 D016428
- 700 1_
- $a Almeida, Joyce Sobreiro Francisco Diz de $u Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro, RJ, Brazil $1 https://orcid.org/0000000214266681
- 700 1_
- $a Franca, Tanos Celmar Costa $u Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro, RJ, Brazil $u Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic $1 https://orcid.org/0000000260488103
- 700 1_
- $a Figueroa-Villar, José Daniel $u Medicinal Chemistry Group, Department of Chemistry, Military Institute of Engineering, Rio de Janeiro, RJ, Brazil $1 https://orcid.org/0000000215447070
- 773 0_
- $w MED00002554 $t Journal of biomolecular structure & dynamics $x 1538-0254 $g Roč. 39, č. 14 (2021), s. 5005-5013
- 856 41
- $u https://pubmed.ncbi.nlm.nih.gov/32597332 $y Pubmed
- 910 __
- $a ABA008 $b sig $c sign $y p $z 0
- 990 __
- $a 20230418 $b ABA008
- 991 __
- $a 20230425171824 $b ABA008
- 999 __
- $a ok $b bmc $g 1925207 $s 1191184
- BAS __
- $a 3
- BAS __
- $a PreBMC-MEDLINE
- BMC __
- $a 2021 $b 39 $c 14 $d 5005-5013 $e 20200629 $i 1538-0254 $m Journal of biomolecular structure & dynamics $n J Biomol Struct Dyn $x MED00002554
- LZP __
- $a Pubmed-20230418
