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Medchem Russia 2019 Ural Branch of the Russian Academy of Sciences MedChem Russia 2019 4th Russian Conference on Medicinal Chemistry with international participants June 10-14, 2019 Ekaterinburg, Russia Abstract book © Ural Branch of the Russian Academy of Sciences. All rights reserved © Authors, 2019 The conference is held with the financial support of the Russian Foundation for Basic Research, project No. 19-03-20012 4th Russian Conference on Medicinal Chemistry with international participants. MedChem Russia 2019 Abstract book – Ekaterinburg : Ural Branch of the Russian Academy of Sciences, 2019. – 448 p. ISBN 978-5-7691-2521-8 Abstract book includes abstracts of plenary lectures, oral and poster presentations, and correspondent presentations of the Conference Dear Participants of the MedChem Russia 2019 On behalf of the Organizing Committee I have a pleasure to welcome you in the Ural land! As you know, three previous conferences were held in Moscow, Novosibirsk and Kazan and proved to be very successful ones. The choice of our city, as the venue for the current event, has not been made accidentally. Ever since the twenties of the previous century, Ekaterinburg has fostered one of the oldest in Russia scientific schools in organic and heterocyclic chemistry, as well as medicinal chemistry, being the most intellectually-challenging field. Figuratively, the seeds cast onto the Ural soil by the outstanding scholar Isaak Postovsky took root, sprouted up, grew and have now brought fruit. The school has been functioning successfully both in science and education. Thanks to joint efforts of the Ural Federal University and Postovsky Institute of Organic Synthesis, the Medicinal Chemistry specialty has recently been established; and the Pharma center was built. Scientific cooperation of scholars in the Urals has been growing stronger both in Russia and abroad. I wish all participants to have successful presentations, fruitful discussions and a pleasant stay in the Urals. President of the Conference Academician Oleg N. Chupakhin Уважаемые участники конференции MedChem Russia 2019! От имени Оргкомитета рад приветствовать вас на Уральской земле! Как Вы знаете, три предыдущих конференции по медицинской химии прошли с успехом в Москве, Новосибирске и Казани. Выбор нашего города, как места проведения очередного собрания специалистов этого профиля, неслу- чаен. Именно здесь, в Екатеринбурге, начиная с 20-х годов прошлого века, су- ществует старейшая в России школа органической и гетероциклической химии, важнейшим профилем которой является медицинская химия. Семена, брошенные в Уральскую землю академиком Исааком Яковлевичем Постовским, хорошо взошли, принялись, и по сей день приносят плоды. Школа успешно функционирует как в науке, так и в образовании. В последние годы в Уральском федеральном универси-тете в содружестве с Институтом органиче- ского синтеза УрО РАН успешно ведется подготовка студентов по специально- сти «Медицин-ская химия», построен Химфармцентр. Крепнут связи уральцев с коллегами как в России, так и за рубежом. Желаю всем участникам конференции успешных выступлений, плодотвор- ного общения и приятного пребывания на Урале. Президент конференции, академик РАН О.Н. Чупахин ORGANIZERS OF THE CONFERENCE Russian Academy of Sciences Ural Branch of the Russian Academy of Sciences Ministry of Science and Higher Education of the Russian Federation Ministry of Health of the Russian Federation Ural Federal University named after the First President of Russia B.N. Yeltsin Sverdlovsk Oblast Government Ministry of Industry and Science of Sverdlovsk Oblast Ekaterinburg City Administration Department of Chemistry and Material Sciences of RAS Mendeleev Russian Chemical Society Scientific Council on Medicinal Chemistry of RAS Lomonosov Moscow State University, Faculty of Chemistry Ural State Medical University I.Ya. Postovsky Institute of Organic Synthesis of UB RAS M.N. Mikheev Institute of Metal Physics of of UB RAS Institute of Immunology and Physiology of UB RAS Institute of Physiologically Active Compounds of RAS N.N. Blokhin National Medical Research Center of Oncology of the Ministry of Health of Russian Federation Committees President of the Conference Oleg N. Chupakhin, Full Member of RAS, Chairman of the United Scientific Council on Chemical Sciences of UB RAS, Scientific Adviser, IOS UB RAS Chairs of the Conference Sergey O. Bachurin, Chairman of the Scientific Council on Medicinal Chemistry of RAS, Director of IPAC RAS Olga P. Kovtun, Rector of the Ural State Medical University Viktor A. Koksharov, Rector of the Ural Federal University Valery N.Charushin, Vice-president of RAS, Chair of Ural Branch of RAS Organizing Committee Full Member of RAS Aldoshin S.M. Full Member of RAS Ugryumov M.V. Full Member of RAS Beletskaya I.P. Full Member of RAS Khokhlov A.R. Full Member of RAS Bubnov Yu.N. Full Member of RAS Tsivadze A.Yu. Full Member of RAS Buchachenko A.L. Full Member of RAS Chekhonin V.P. Full Member of RAS Dygai A.M. Full Member of RAS Yunusov M.S Full Member of RAS Egorov M.P. Corresponding Member of RAS Varfolomeev S.D. Full Member of RAS Egorov A.M. Corresponding Member of RAS Durnev A.D. Full Member of RAS Ivanov V.T. Corresponding Member of RAS Kalmykov S.N. Full Member of RAS Konovalov A.I. Corresponding Member of RAS Kukushkin V.Yu. Full Member of RAS Kozhevnikov V.L. Corresponding Member of RAS Nifantyev N.E. Full Member of RAS Lisitsa A.V. Corresponding Member of RAS Popov V.O. Full Member of RAS Minkin V.I. Corresponding Member of RAS Rusinov V.L. Full Member of RAS Mushnikov N.V. Professor Garabadgiu A.V. Full Member of RAS Myasoedov N.F. Doctor of Science Kosorukov V.S. Full Member of RAS Novakov I.A. Professor Kurochkin I.N. Full Member of RAS Petrov V.I. Professor Milaeva E.R. Full Member of RAS Sinyashin O.G. Professor Narkevich I.A. Full Member of RAS Spasov A.A. Professor Salakhutdinov N.F. Full Member of RAS Stonik V.A. Doctor of Science Strelnikov V.N. Full Member of RAS Tiganov A.S. Doctor of Medicine Shprakh Z.S. Full Member of RAS Trofimov B.A. Scientific Program Committee Full Member of RAS Chupakhin O.N. Full Member of RAS Sinyashin O.G. (Co-Chair) Full Member of RAS Spasov A.A. Full Member of RAS Bachurin S.O. Full Member of RAS Chereshnev V.A. (Co-Chair) Corresponding Member of RAS Kuchin A.V. Doctor of Chemistry Balakin Corresponding Member of RAS Nifantyev N.E. K.V.(Scientific Secretary) Professor Krasnov V.P. Full Member of RAS Egorov M.P. Doctor of Chemistry Palyulin V.A. CONTENT Plenary Lectures ............................................ 7 Oral Communications ................................. 35 Posters ....................................................... 151 Correspondent Presentations ................... 327 Author Index ..............................................415 Partners and Sponsors ................................431 PLENARY LECTURES 10 MedChem Russia 2019 Synthesis of substances with high anti-cancer and anti-parasitic activity based on a new type of reactivity of aliphatic nitro compounds Aksenov A.V.1, Aksenov N.A.1, Aksenov D.A.1 and Rubin M.1,2 1Department of Chemistry, North Caucasus Federal University, 355009, Russian Federation, Stavropol, Pushkin St., 1a 2Department of Chemistry, Kansas University, 66045, United States, Lawrence, Kansas, Wescoe Hall Drive, 1251 Creating new classes of drugs is an urgent task, the solution of which involves a significant number of research teams. A special place is intended to search for new molecular scaffolds on base of which anticancer drugs can be found and more effective ways of synthesizing already known structures with anticancer activity. Recently, among the new synthetic methods of great importance can be distinguished: metalfree C-H -functionalization, transannulation, ring economy - processes. this report is devoted to the development of such methodologies in combination with the methodology of “smart reaction medium”, which is being successfully developed in our laboratory. It includes the development of synthetic methods based on the reaction of indoles with unsaturated nitro compounds and nitroalkanes. Based on this methodology, it was possible to obtain a large number of compounds with high anticancer activity, and a number of substances exhibit a rare property — reverse differentiation. Some compounds have antiparasitic activity against leishmaniasis. This work was supported by the Russian Science Foundation № 18-13-00238. Plenary Lectures 11 Selective Inhibitors of BET-Proteins as Epigenetic Strategy in Oncology 1 2 2 1 Voitovich Iu.V. , Combes S. , Morelli X. , and Fedorov A.Yu. 1Department of organic chemistry, N.I. Lobachevsky Nizhny Novgorod State University, 603950 Russian Federation,Nizhny Novgorod, Gagarin avenue, 23 2CRCM, CNRS, Inserm, Institut Paoli-Calmettes, Aix-Marseille University, 13009 Marseille, France BET proteins have multiple functions, including the initiation and elongation of transcription and cell cycle regulation. BET inhibitors provide a novel approach to epigenetic anticancer therapy. These inhibitors exhibit selectivity for tumor cells by preferentially binding to regions of DNA critical for the transcription of genes that determine a cell’s identity. Using the combination of different computational and experimental methods: virtual screening and FRET-methodologies, organic and diversity-oriented target-focused synthesis (DOTS), as well as crystallographical and biochemical approaches, several inhibitors of human BET-proteins with unforeseen selectivity profiles were identified. The hit-compounds contain
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