Shestopalova Anna Viktorovna<\/strong><\/p>\nDoctor of Physical and Mathematical Sciences, Professor<\/p>\n
Born on May 13, 1958. In 1980 she graduated from Kharkiv State University and in 1983 finished the postgraduate<\/p>\n
studies at its Department of Molecular and Applied Biophysics, Radiophysics Faculty<\/p>\n
The field of scientific interests is connected with studying the mechanisms of interactions in molecular systems, namely: biomacromolecules (or their components and derivatives) – water – ions – biologically active agents and structural bioinformatics. The main methods used in the investigations are quantum chemistry, Monte Carlo simulation, molecular docking and molecular dynamics applied to study the associates of the biomolecules, their components and biological active compounds (anticancer antibiotics and their derivatives) in nonpolar and polar solvents, especially in water, conformational changes of biopolymers depending on relative humidity; the interactions of nucleic acids and their components with drugs and proteins; methods of structural bioinformatics.<\/p>\n
Ph.D. (Biophysics) Thesis: \u201cCaffeine hydration and its interaction with system DNA-water\u201d (Tbilisi, Institute for Physics Georgian Academy of Sciences, Georgia, 1987).<\/p>\n
Dr.Sci. (Biophysics) Thesis: \u201cMolecular mechanisms of hydration and complex formation of nucleic acids and biological active compounds\u201d (V. N. Karazin Kharkiv National University, 2007).<\/p>\n
Main scientific results:<\/strong><\/p>\n\n- The processes of aggregation in aqueous solutions of biologically active aromatic compounds were studied using experimental methods (EHF dielectrometry, IR spectroscopy and piezogravimetry) and by computer simulations (Monte Carlo method and molecular dynamics);<\/li>\n
- The processes of formation of hydration environment of components and fragments of nucleic acids and their complexes with biologically active substances were investigated using experimental methods (UV spectroscopy, IR spectroscopy and piezogravimetry) and by computer simulation (Monte Carlo, molecular docking, quantum chemistry and molecular dynamics methods);<\/li>\n
- The mechanisms of molecular recognition in protein\u00a0–\u00a0nucleic acid complexes were studied using the methods of structural bioinformatics.<\/li>\n<\/ul>\n
Anna Shestopalova is the author and co-author of 126 scientific publications, including 40 articles and 3 monographs.<\/p>\n
Selected publications:<\/strong><\/p>\n\n- \u0428\u0435\u0441\u0442\u043e\u043f\u0430\u043b\u043e\u0432\u0430 \u0410.\u0412., \u041a\u0430\u0448\u043f\u0443\u0440 \u0412.\u0410., \u041c\u0430\u043b\u0435\u0435\u0432 \u0412.\u042f.<\/em> \u0413\u0438\u0434\u0440\u0430\u0442\u0430\u0446\u0438\u044f \u043a\u043e\u0444\u0435\u0438\u043d\u0430 \u0432 \u0440\u0430\u0441\u0442\u0432\u043e\u0440\u0430\u0445 \u043f\u043e \u0434\u0430\u043d\u043d\u044b\u043c \u0421\u0412\u0427-\u0434\u0438\u044d\u043b\u0435\u043a\u0442\u0440\u043e\u043c\u0435\u0442\u0440\u0438\u0438 \/\/ \u0414\u0410\u041d \u0423\u0421\u0421\u0420. \u2013 1984. – \u0441\u0435\u0440\u0438\u044f \u0411, \u21167. – \u0421.79-82.<\/li>\n
- \u0428\u0435\u0441\u0442\u043e\u043f\u0430\u043b\u043e\u0432\u0430 \u0410.\u0412., \u0414\u0430\u043d\u0438\u043b\u043e\u0432 \u0412.\u0418., \u041c\u0430\u043b\u0435\u0435\u0432 \u0412.\u042f.<\/em> \u041f\u0440\u0438\u0440\u043e\u0434\u0430 \u0441\u0442\u043e\u043f\u043a\u043e\u043e\u0431\u0440\u0430\u0437\u043e\u0432\u0430\u043d\u0438\u044f \u043c\u043e\u043b\u0435\u043a\u0443\u043b \u043a\u043e\u0444\u0435\u0438\u043d\u0430 \u0432 \u0432\u043e\u0434\u0435: \u0438\u0437\u0443\u0447\u0435\u043d\u0438\u0435 \u043c\u0435\u0442\u043e\u0434\u043e\u043c \u041c\u043e\u043d\u0442\u0435 \u041a\u0430\u0440\u043b\u043e \/\/ \u0414\u0410\u041d \u0421\u0421\u0421\u0420. \u2013 1985. – 282, \u21164. – \u0421.1000-1003.<\/li>\n
- Danilov V.I., Shestopalova A.V. <\/em>Hydrophobic effect in biological associates: a Monte Carlo simulation of caffeine molecules stacking \/\/ Int. J. Quant. Chem.- 1989. – XXXV, N – \u0420.103-112.<\/li>\n
- Shestopalova A.V. <\/em>Interaction of caffeine molecular associates with water: theory and experiment \/\/ Croatica Chem.Acta. \u2013 1989. – 62, N 4. – \u0420.825-834.<\/li>\n
- Maleev V., Semenov M., Kashpur V., Bolbukh T., Shestopalova A., Anishchenko D. <\/em>Structure and hydration of polycytidylic acid from the data of infrared spectroscopy, EHF dielectrometry and computer modeling \/\/ J. Mol.Structure. – 2002. \u2013 605, N1. – \u0420.51-61.<\/li>\n
- Gasan A.I., Virnik K.M, Shestopalova A.V., Maleev V.I. <\/em> Dynamic properties of water bound to matrices of natural DNA and model complexes \/\/ Biofizika. – \u2013 47, \u21162. \u2013 \u0420.245-252.<\/li>\n
- Virnik K.M., Gasan A.I., Maleev V.Ia.,Shestopalova A.V. <\/em>Energetics of hydration of nucleic acids with various nucleotide composition \/\/ Biofizika. – \u2013 47, \u21163. \u2013 \u0420. 420-426.<\/li>\n
- Shestopalova<\/em> A<\/em>.<\/em>V<\/em>. <\/em>Hydration of nucleic acids components in dependence of nucleotide composition and relative humidity: a Monte Carlo simulation \/\/ European Phys. J. D. \u2013 2002. – 20, \u21161. – \u0420.331-337.<\/li>\n
- Berezniak E.G., Semenov M.A., Bol’bukh T.V., Dukhopel’nikov E.V., Shestopalova A.V., Maleev V.Ia. <\/em>Study of effect of water on the interaction of DNA and actinocin derivatives with various aminoalkyl chain length by infrared spectrophotometry and computer modeling \/\/ Biofizika. – 2002. \u2013 47, \u21166. \u2013 \u0420.1005-1014.<\/li>\n
- Maleev V.Ya., Semenov M.A., Kruglova E.B., Bolbukh T.V, Gasan A.I., Bereznyak E.G., Shestopalova A.V. <\/em>Spectroscopic and calorimetric study of DNA interaction with a new series of actinocin derivatives \/\/ J. Mol. Structure. \u2013 2003. – 645, \u21161. – \u0420.145-158.<\/li>\n
- Miroshnychenko K.V., Shestopalova A.V. <\/em>Flexible docking of DNA fragments and actinocin derivatives \/\/ Molecular Simulation. \u2013 2005. – 31, N – P. 567\u2013574.<\/li>\n
- Shestopalova<\/em> A<\/em>.<\/em>V<\/em>.<\/em> Computer simulation of the association of caffeine and actinocin derivatives in aqueous solutions \/\/ Biofizika. \u2013 2006. \u2013 51, \u2116 3. \u2013 \u0420.389-401.<\/li>\n
- Shestopalova A.V. <\/em>The investigation of the association of caffeine and actinocin derivatives in aqueous solution: A molecular dynamics simulation \/\/ J. Mol. Liquids. \u2013 2006. – 127, N1-3. -113-117.<\/li>\n
- Miroshnychenko<\/em> K<\/em>.<\/em>V<\/em>., <\/em>Shestopalova A<\/em>.<\/em>V<\/em>.<\/em> Molecular dynamics simulation of different helical forms of polyribocytidilic acids \/\/ Biophysical Bulletin. \u2013 2008. – 21 (2). – P.5-18.<\/li>\n
- Tkachenko M. Y., Boryskina O. P., Shestopalova A. V., Tolstorukov M. Y.<\/em>ProtNA-ASA: Protein-nucleic acid structural database with information on accessible surface area \/\/ Int. J. Quant. Chem. \u2013 2010. – 110, \u21161. – \u0420. 230\u2013232.<\/li>\n
- Miroshnychenko K.V., Shestopalova A.V. <\/em> The Effect of Drug-DNA Interactions on the Intercalation Site Formation \/\/ Int. J. Quant. Chem. \u2013 2010. – 110, \u21161. – \u0420.161-176.<\/li>\n
- Boryskina O.P., Tkachenko M.Yu., Shestopalova A.V. <\/em>Variability of DNA structure and protein-nucleic acid reconginition \/\/ Cell. \u2013 2010. \u2013 26, \u21165. \u2013 \u0420.360-372.<\/li>\n
- Boryskina O. P., Tkachenko M. Yu., Shestopalova A. V. <\/em>Protein-DNA complexes: specificity and DNA readout mechanisms \/\/ Cell. \u2013 2011. \u2013 27, \u21161. \u2013 \u0420.3-16.<\/li>\n
- Semenov M.A., Blyzniuk Iu.N., Bolbukh T.V., Shestopalova A.V., Evstigneev M.P., Maleev V.Ya.<\/em> Intermolecular hydrogen bonds in hetero-complexes of biologically active aromatic molecules probed by the methods of vibrational spectroscopy \/\/ Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. \u2013 -V. 95. – p. 224\u2013229.<\/li>\n
- Pesina D. A., Kashpur V. A., Khorunzhaya O. V., Shestopalova A.<\/em> Hydration of complexes of chlorophyllin with human and bovine serum albumin investigated by differential EHF dielectrometry \/\/ Bioph Bul. 2013. \u2013 N. 30(2). \u2013 P. 5-14.<\/li>\n
- Zhitnikova M.Y., Boryskina O.P., Shestopalova A.V. <\/em> Sequence-specific transitions of the torsion angle gamma change the polar-hydrophobic profile of the DNA grooves: implication for indirect protein-DNA recognition \/\/ Biomol. Struct. Dyn. – 2014. – V.32. \u2013 N 10. \u2013 pp. 1670-1685.<\/li>\n
- Evstigneev M.P., Shestopalova A.V.<\/em> Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment, pp.21-58, In: Application of Computational Techniques in Pharmacy and Medicine; Series: Challenges and Advances in Computational Chemistry and Physics, Vol. 17; Gorb, Leonid, Kuz’min, Victor, Muratov, Eugene (Eds.), 2014, XIII, 550 p.; ISBN: 978-94-017-9256-1 (Print) 978-94-017-9257-8 (Online).<\/li>\n
- \u0428\u0435\u0441\u0442\u043e\u043f\u0430\u043b\u043e\u0432\u0430 \u0410. \u0412., \u0416\u0438\u0442\u043d\u0438\u043a\u043e\u0432\u0430 \u041c.\u042e., \u0411\u043e\u0440\u0438\u0441\u043a\u0438\u043d\u0430 \u0415.\u041f. <\/em>\u041f\u043e\u043b\u0438\u043c\u043e\u0440\u0444\u0438\u0437\u043c \u0414\u041d\u041a \u0438 \u043f\u0440\u043e\u0431\u043b\u0435\u043c\u0430 \u0431\u0435\u043b\u043a\u043e\u0432\u043e-\u043d\u0443\u043a\u043b\u0435\u0438\u043d\u043e\u0432\u043e\u0433\u043e \u0443\u0437\u043d\u0430\u0432\u0430\u043d\u0438\u044f: \u043c\u043e\u043d\u043e\u0433\u0440\u0430\u0444\u0438\u044f. \u2014 LAP: Lambert Academic Publishing, Saarbrucken, Germany, 2014-03-25, 112 \u0441., ISBN 978-3-659-30140-7.<\/li>\n<\/ol>\n
Awards: Diploma of Presidium of Academy of Sciences of Ukraine, 2013.<\/p>\n
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<\/a><\/p>\nOrder of Princess Olga III degree, 2018 “For a significant personal contribution to the development of national science, strengthening the scientific and technical potential of Ukraine, many years of conscientious work and high professionalism”<\/p>\n
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<\/a><\/p>\nO. S. Davydov Prize (NASU, 2022) for outstanding works in the field of theoretical and biological physics: \u00abFor the study of the mechanisms of formation of complexes of biologically active molecules with DNA molecules and proteins\u00bb.<\/p>\n
Anna Shestopalova is the professor of the Department of Molecular and Medical Physics of Radiophysics, Biomedical Electronics and Computer Systems Faculty of V. N. Karazin National University. She prepared and gave lectures on courses “Physics of biopolymers”, “Biophysics of a man”, “The human genome”. Currently teaches courses “General biophysics. Molecular biophysics” and “Computer analysis of the biomolecular structures”.<\/p>","protected":false},"excerpt":{"rendered":"
Shestopalova Anna Viktorovna Doctor of Physical and Mathematical Sciences, Professor Born on May 13, 1958. In 1980 she graduated from Kharkiv State University and in 1983 finished the postgraduate studies at its Department of Molecular and Applied Biophysics, Radiophysics Faculty The field of scientific interests is connected with studying the mechanisms of interactions in molecular […]<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":171,"menu_order":100,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-1058","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/pages\/1058","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/comments?post=1058"}],"version-history":[{"count":4,"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/pages\/1058\/revisions"}],"predecessor-version":[{"id":10058,"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/pages\/1058\/revisions\/10058"}],"up":[{"embeddable":true,"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/pages\/171"}],"wp:attachment":[{"href":"https:\/\/www.ire.kharkov.ua\/en\/wp-json\/wp\/v2\/media?parent=1058"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}
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