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2013 Vol 11 # 2


Antitumor activity of flavonoid Mannich bases

M.S. Frasinyuk1, G.P. Mrug1, S.P. Bondarenko2, V.P. Khilya2, V.S. Brovarets1

1 Institute of Bioorganic and Petroleum Chemistry, NAS of Ukraine
1, Murmanska Str., Kyiv, 02094, Ukraine

2 Taras Shevchenko Kyiv National University
64, Volodymirska Str., Kyiv, 01033, Ukraine

Summary. The series of Mannich bases of 7-hydroxy-5-methoxyisoflavones, 5,7-dihydroxyisoflavones, and chrysin were synthesized. Antitumor activity of these compounds on 60 cancer cell lines at 10-5 M was evaluated. Some «structure – activity» patterns were found as result of screening.

Keywords: Mannich bases, flavonoid, isoflavone, chrysin, antitumor activity.

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Antibacterial properties of nitrogen-containing bisphosphonates as farnesyl diphosphate synthases inhibitors

I.M. Kopernyk, L.E. Kalashnikova, L.P. Golod, L.O. Metelytsia

Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine
1, Murmanska Str., Kyiv-94, 02660, Ukraine

Summary. Were established new nitrogen-containing bisphosphonates with antibacterial activity as farnesyl diphosphate synthases inhibitors. Demonstration of bacteriostatic effect in researched compounds generally defined by the level of their ability to inhibit microorganisms farnesyl diphosphate synthase. Researched NCB-bacteriostatics as FDFS inhibitors is perspective for future rational designing of new antibacterial agents. They are effective against resistant bacterial microorganisms too.

Keywords: nitrogen-containing bisphosphonates, farnesyl diphosphate synthase, antibacterial activity.

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Quantum-chemical analysis of all possible m1Thy·m9Ade pairs of DNA bases including rare tautomers, associated with hydrogen bonds

D.P. Plodnik1, I.S. Voiteshenko1, D.M. Hovorun1,2

1 Institute of Molecular Biology and Genetics, NAS of Ukraine
150, Zabolotnoho Str., Kyiv, 03680, Ukraine

2 Institute of High Technologies, Taras Shevchenko National University of Kyiv
2g, Hlushkova Ave, Kyiv, 03022, Ukraine

Summary. A complete family of pairs bases of DNA m1Thy·m9Ade in rare tautomeric forms associated with intermolecular H-bonds, which has 78 different structures, was obtained at first time by the methods of quantum che-    mistry at the level of theory MP2/6-311++G(2df,pd)//B3LYP/6-311++G(d,p). Was investigated their basic physical and chemical properties and,  particularly, structural properties. We describe the intermolecular hydrogen bonds that stabilize them, with the main attention is paid to the H-bonds CH...O/N.

Keywords: nucleotide bases, hydrogen bonds, methylation, quantum-chemical studies.

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Quantitative estimation of genetically determined response in wheat leaves to the impact of chemical factors

O.I. Martynenko1, T.K. Kyrylenko1, A.V. Stepanyugin1, D.P. Plodnik2, D.M. Hovorun1,2

1 Institute of Molecular Biology and Genetics, NAS of Ukraine
150, Zabolotnoho Str., Kyiv, 03680, Ukraine

2 Institute of High Technologies, Taras Shevchenko National University of Kyiv
2, Hlushkova Ave, Kyiv, 03127, Ukraine

Summary. By using the parameters «RNA/DNA ratio» and «growth rate» of leaves of wheat seedlings observed features of the impact of a number of chemical factors (drug metysazon, a mixture of PEG-400+DMSO and DMSO) at these objects. Was found the highest sensitivity of parameter «RNA/DNA ratio» to the action of chemical factors: this is serious reason to recommend it is as a quantitative index of impact of exogenous chemical factors on plant organisms.

Keywords: RNA/DNA ratio, metysazon, PEG-400, DMSO, growth rate, wheat.

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Complete family of h-bonded 1-methylcytosine homoassociates: Quantum-mechanical investigation

A.M. Glushenkov1, D.M. Hovorun1,2

1 Institute of High Technologies, Taras Shevchenko National University of Kyiv
4g, Hlushkova Ave, Kyiv, 02033, Ukraine

2 Institute of Molecular Biology and Genetics, NAS of Ukraine
150, Zabolotnoho Str., Kyiv, 03680, Ukraine

Summary. On the MP2/6-311++G(2df,pd)//B3LYP/6-311++G(d,p) theory level in vacuum for the first time was shown that stabilized by specific intermolecular contacts complete family of m1Cyt·m1Cyt homoassociates counts 37 structures in diapason of 0÷34,42 kcal/mol relative Gibbs energies. Centrally symmetric homoassociate corresponds to global minima which is stabilized by pair of antiparallel H-bonds N4H...N1 and has enthalpy of formation practically the same as in mass-spectrometry experiment (L.F. Sukhodub et al., 1976). Detail analysis of intermolecular H-bonds, especially weak CH...O/N, physico-chemical properties has been performed. Briefly discussed application of results in spontaneous point mutations of DNA theory.

Keywords: nucleic base, nucleic base pairs, non-canonical base pairs, homoassociate, self-associate, cytosine, 1-methylcytosine.

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Pyridine-3-carbonitrile derivatives as new FGFR1 protein kinase inhibitors

S.A. Starosyla1, M.V. Protopopov1, I.V. Dyachenko3, A.O. Balanda2, V.D. Dyachenko3, S.M. Yarmoluk2

1 Taras Shevchenko Kyiv National University
60, Volodymirska Str., Kyiv, 01601, Ukraine

2 Institute of Molecular Biology and Genetics, NAS of Ukraine
150, Zabolotnoho Str., Kyiv, 03680, Ukraine

3 Taras Shevchenko Lugansk National University
2, Oboronna Str., Lugansk, 91011, Ukraine

Summary. Proteinkinase FGFR1 plays a key role in the regulation of cell differentiation and proliferation. Inhibitors of this kinase can be used for effective treatment of solid tumors and proliferative diseases. The search of FGFR1 inhibitors was performed by using virtual screening approach and in vitro kinase assay. We have found 3 compounds inhibiting protein kinase in micromolar range. The most active compound was 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (˛Ń50=1,58 µM). Binding mode for tested inhibitors with FGFR1 ATP-binding site has been proposed.

Keywords: protein kinase FGFR1, receptor-based docking, inhibitor.

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