volume 91 issue 11 pages 2136-2150

N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity

Publication typeJournal Article
Publication date2021-11-01
scimago Q4
wos Q4
SJR0.179
CiteScore1.4
Impact factor0.8
ISSN10703632, 16083350
General Chemistry
Abstract
The spectral characteristics of dithiomalondianilide (N,N′-diphenyldithiomalonodiamide) were studied, and the dissociation constant was determined by potentiometric titration. Quantum-chemical methods at the B3LYP-D3BJ/6-311+G (2d,p) level were used to calculate the molecular geometry and vibrational spectra of the most stable tautomeric forms of dithiomalondianilide. The bioavailability parameters were calculated, and possible protein targets were predicted by the protein ligand docking method.
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Sinotsko A. E. et al. N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity // Russian Journal of General Chemistry. 2021. Vol. 91. No. 11. pp. 2136-2150.
GOST all authors (up to 50) Copy
Sinotsko A. E., Bespalov A. V., Pashchevskaya N. V., Dotsenko V. V., Aksenov N. A., Aksenova I. V. N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity // Russian Journal of General Chemistry. 2021. Vol. 91. No. 11. pp. 2136-2150.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1134/s1070363221110037
UR - https://doi.org/10.1134/s1070363221110037
TI - N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity
T2 - Russian Journal of General Chemistry
AU - Sinotsko, A E
AU - Bespalov, A V
AU - Pashchevskaya, N V
AU - Dotsenko, Viktor V
AU - Aksenov, Nicolai A.
AU - Aksenova, Inna V.
PY - 2021
DA - 2021/11/01
PB - Pleiades Publishing
SP - 2136-2150
IS - 11
VL - 91
PMID - 34934303
SN - 1070-3632
SN - 1608-3350
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2021_Sinotsko,
author = {A E Sinotsko and A V Bespalov and N V Pashchevskaya and Viktor V Dotsenko and Nicolai A. Aksenov and Inna V. Aksenova},
title = {N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity},
journal = {Russian Journal of General Chemistry},
year = {2021},
volume = {91},
publisher = {Pleiades Publishing},
month = {nov},
url = {https://doi.org/10.1134/s1070363221110037},
number = {11},
pages = {2136--2150},
doi = {10.1134/s1070363221110037}
}
MLA
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MLA Copy
Sinotsko, A. E., et al. “N,N′-Diphenyldithiomalonodiamide: Structural Features, Acidic Properties, and In Silico Estimation of Biological Activity.” Russian Journal of General Chemistry, vol. 91, no. 11, Nov. 2021, pp. 2136-2150. https://doi.org/10.1134/s1070363221110037.