Anticancer activity, structure, and theoretical calculation of N-(1-phenyl-3-methyl-4-propyl-pyrazolone-5)-salicylidene hydrazone and its copper (II) complex
Y Zhang, L Zhang, L Liu, J Guo, D Wu, G Xu… - Inorganica Chimica …, 2010 - Elsevier
… calculation and pharmacological testing. It’s found that the Cu(II) complex possesses
more powerful anticancer effectivity than that of the ligand. In order to make its anticancer …
more powerful anticancer effectivity than that of the ligand. In order to make its anticancer …
Synthesis, theoretical calculation and anticancer activity of 4, 6-diacetylresorcinol-dithiocarbazates and their Copper (II) complexes
FC Lima, YAO Só, R Gargano, M Fujimori… - Journal of Molecular …, 2020 - Elsevier
The present work reports the synthesis and structural elucidation of two dithiocarbazate
ligands derived from 4,6-diacetylresorcinol (H 3 L 1 ) and (H 3 L 2 ) and two Cu(II) complexes, […
ligands derived from 4,6-diacetylresorcinol (H 3 L 1 ) and (H 3 L 2 ) and two Cu(II) complexes, […
Synthesis, density functional theory calculation, molecular docking studies, and evaluation of novel 5‐nitrothiophene derivatives for anticancer activity
… the synthesized compounds were tested as anticancer agents. In this study, we synthesized
the compounds 2a–2j and investigated their anticancer activity against A549 human lung …
the compounds 2a–2j and investigated their anticancer activity against A549 human lung …
[PDF][PDF] Theoretical calculations of molecular descriptors for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against gastric cancer cell line (MGC-803): DFT …
RO Oyewole, AK Oyebamiji, B Semire - Heliyon, 2020 - cell.com
… as good anti-cancer activity, its … at calculating the molecular descriptors for anticancer
activities of 1, 2, 3-triazole-pyrimidine hybrids using quantum chemical method and calculations of …
activities of 1, 2, 3-triazole-pyrimidine hybrids using quantum chemical method and calculations of …
Design, synthesis, molecular modeling, anticancer studies, and density functional theory calculations of 4-(1, 2, 4-triazol-3-ylsulfanylmethyl)-1, 2, 3-triazole derivatives
A Al Sheikh Ali, D Khan, A Naqvi, FF Al-Blewi… - ACS …, 2020 - ACS Publications
… good anticancer activity against the … anticancer activity. Overall, among the synthesized
compounds, compounds 17, 22, and 25 have demonstrated the most potent anticancer activity …
compounds, compounds 17, 22, and 25 have demonstrated the most potent anticancer activity …
Theoretical investigation of structure, anticancer activity and molecular docking of thiourea derivatives
G Kirishnamaline, JD Magdaline… - Journal of Molecular …, 2021 - Elsevier
… ring systems thereby promote the anticancer activity of the drug … The recent evolution of the
anticancer activity of thiourea … In the present investigation, the theoretical calculations show …
anticancer activity of thiourea … In the present investigation, the theoretical calculations show …
[HTML][HTML] Quantitative structure anti-cancer activity relationship (QSAR) of a series of ruthenium complex azopyridine by the density functional theory (DFT) method
KN N'guessan, MGR Koné, K Bamba… - Computational …, 2017 - scirp.org
… the observed anticancer activities. The molecular descriptors have been calculated only
from the molecular structure of the compounds and predicting the anticancer activities of …
from the molecular structure of the compounds and predicting the anticancer activities of …
New 7-azaindole palladium and platinum complexes: crystal structures and theoretical calculations. In vitro anticancer activity of the platinum compounds
J Ruiz, V Rodríguez, C de Haro, A Espinosa… - Dalton …, 2010 - pubs.rsc.org
… According to our calculations inclusion of the π-stacked Haza unit is expected to be only
slightly favoured (ΔE = −1.02 kcal mol −1 ). Two sets of binding forces holding together both …
slightly favoured (ΔE = −1.02 kcal mol −1 ). Two sets of binding forces holding together both …
Conformational diversity of anthracycline anticancer antibiotics: A density functional theory calculation
S Zhu, L Yan, X Ji, W Lu - Journal of Molecular Structure: THEOCHEM, 2010 - Elsevier
… , their full potentials as anticancer agents have been hindered by … in terms of anticancer
activity and cardiac tolerability, great … The DOX is the most effective anticancer drug, and causes …
activity and cardiac tolerability, great … The DOX is the most effective anticancer drug, and causes …
Anticancer activity study and density functional/time-dependent density functional theory (DFT/TD-DFT) calculations of 2 (3), 9 (10), 16 (17), 23 (24)-tetrakis-(6 …
… This corroborates the reports of the anticancer activities of the two Pcs as observed in this
work for ZnPc and the work of Castilho-Fernandes et al. for ClAlPc, in which the %cytotoxicity …
work for ZnPc and the work of Castilho-Fernandes et al. for ClAlPc, in which the %cytotoxicity …
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