Figure 1: Docking model of JAK kinease inhibitor. (cc. INVITROHAIR CIS 2 “ Hairgrowth activators”).

Area: Modern Drug Design & Development including medicinal, combinatorial and biological chemistry as well as in silico modeling and agrochemistry.

Achievements of the CI Team

 As a result, more than 200 scientific papers (full-paper articles, letters and comprehensive reviews) have been published in various authoritative and high IF scientific journals. In addition, a number of government-sponsored/supported projects (RSF, RFBR, MESR, RMIT, etc.) have been successfully carried out, maintained and supervised.

Several small molecule drugs have been developed and are currently evaluated in clinics.

Among them are: neuraminidase inhibitors (AV5080, AV5027 and AV5075S, Phase І), NS5A inhibitor (AV4025, Phase ІІ), androgen receptor antagonist (ONC1-13B, Phase І), 5HT6R serotonine antagonists (AVN-211 and AVN-322, Phase І/ІІ), AVR-560 (against HCV, Phase І); new anticancer drugs and selective ASPGP-R and PSMA-R drug conjugates (targeted drug delivery) are currently undergoing preclinical studies.

The project leader is the author of several specific software in the field of chemoinformatics and in silicomodeling, as well as commercial focused libraries for HTS.

The prime focus is on professional scientific research in the field of medicinal chemistry and in silico drug design, literacy and article writing (FROM the original idea/materials - to manuscript writing, preparation, editing/correction/revision and the resulting publication);

- Research in the field of modern DD&D as well as chemo- and bioinformatics including medicinal, biological, computational and combinatorial chemistry, biological and virtual screening as well as agrochemistry and preclinical evaluation. The list includes the following specific areas: in silico Drug Design, H2L and L2D optimization, targeted (focused) and random library design, advanced data mining, ADME/Tox assessment (pharmacokinetic profiling), QSAR modeling (3D-molecular docking, 3D- and topological pharmacophore modeling/searching, bioisostericmorphing, similarity, etc.) and close areas. In silico, the main focus is on Kohonen and Sammon Self-organizing mapping, Principal Component Analysis (PCA), Stochastic Proximity Embedding (SPE) as well as classical artificial neural networks (ANN) and related algorithms, etc.;

- Business partnership and collaboration with global leading pharmaceutical companies – Big Pharma – e.g. Novartis, Merck, Bayer, Sanofi, Johnson & Johnson, Pfizer, Roche, GSK, AstraZeneca, Abbott, Eli Lilly, etc.; as well as numerous Russian academic institutions and companies, including MSU (mainly chemical dept., and biological dept.), IBG RAS, IBC RAS, MTU, MISIS, Dmitry Mendeleev UCT, MIPT, St. Petersburg University, SCHELKOVO AGROCHIM, agrosintez, etc. Scientific consulting, expert opinion and development (CRO) in numerous R&D government projects ranged among bioinformatics, medicinal and biological chemistry and pharmacology as well as computational modeling as well as software development;

The core developer/architect is the inventor of several computational algorithms and software in the field of advanced data mining, bioinformatics and nonlinear analysis, particularly for Medicinal Chemistry and Agrochemical applications, these include:

1. SmartMining (ChemDiv. Inc., http://www.chemdiv.com), DD&D, in silico modeling;

2. ARC-Soft (exclusive agrochemical software developed for "Shelkovo-agrochim", http://www.betaren.ru);

3. InformaGenesis (the `master` software product, InformaGenesis, http://www.informagenesis.com);

4. Focused Library Manager (CDL), (ChemDiv. Inc., http://www.chemdiv.com)

5. Nano-Predict. Prediction of toxicity of different-types nanotubes

6. Neural-based Intelligent Scientific Translator (NIST) – automatic scientific translator (the official registration number in ROSPATENT / programs for computers / №2011617859 / 07.10.2011)

7. Chemoinformatic software PC_Searcher – for specific medicinal chemistry purpose.

Publications of the team CI team members:

MONOGRAPHIES AND CHAPTERS

1. N.P. Savchuk, S.E. Tkachenko, et al. Rational Design of GPCR-specific Combinational Libraries Based on the Concept of Privileged Substructures / In Chemoinformatics in Drug Discovery, Ed. Prof. Dr. Tudor I. Oprea, Wiley-VCH Verlag GmbH & Co. KGaA, 2005.

2. K.V. Balakin, Y.A. Ivanenkov, et al. Synergy of Advanced Virtual and High-Throughput Screening Technologies for Increasing Productivity of Small Molecule Drug Discovery / In New Research on Biotechnology in Biology and Medicine. Eds. Egorov A.M., Zaikov G. Chapter 13: pp. 123-131. Nova Science Publishers, 2006.

3. K.V. Balakin, et al. Computer Algorithms for Selecting Molecule Libraries for Synthesis / In Computer Applications in Pharmaceutical Research and Development. Ed. Sean Ekins, John Wiley & Sons, Inc. 2006.

4. A. Ivachtchenko, Y.A. Ivanenkov, et al. Non-Peptide Small Molecule Inhibitors of Caspases / In Design of Caspase Inhibitors as Potential Clinical Agents, Eds. Tom O’Brien and Steve Linton, Taylor & Francis Group, 2007, Volume: 5.

5. S. Ekins, et al. Applications of QSAR to Enzymes Involved in Toxicology / In Computational Toxicology: Risk Assessment for Pharmaceutical and Enviromental Chemicals, Ed. Sean Ekins, 2007, John Wiley & Sons, Inc.

6. Ivanenkov Y.A. and L.M. Khandarova. Advanced methods of artificial intelligence in the design of pharmaceutical agents / In Pharmaceutical Data Mining: Approaches and Applications for Drug Discovery, Konstantin V. Balakin & Sean Ekins (Series Eds), John Wiley & Sons, Inc. 2010, pp. 457-490.

7. I. Pletnev, Y. Ivanenkov, and A. Tarasov. Dimensionality Reduction Techniques for Pharmaceutical Data Mining / In Pharmaceutical Data Mining: Approaches and Applications for Drug Discovery, Ed. K.V. Balakin M.Sc., Ph.D., D.Sc., John Wiley & Sons, Inc. 2010, pp. 425-455.

8. K. V. Balakin, Y. A. Ivanenkov, et al. Compound Library Design for Target Families / In Chemogenomics: Methods and Applications, Ed. E. Jacoby 2009, Ph.D., D.Sc., Humana Press (Springer), 2009, pp. 21-46.

9. Yartseva SM, Ivanenkov YA. Bioactive Compounds and Prostate Cancer Therapy. Bioactive Compounds: At the frontier between nutrition and pharmacology / “Frontiers in Bioactive Compounds”, Bentham Science, 2016, Volume: 2, pp. 326-356, ISBN: 978-1-68108-430-5

10. Иваненков Я.А., Айгинин А.А., Назаренко А.Г., Белоглазкина Е.К., Котелянский В.Э., Мажуга А.Г. СОВРЕМЕННЫЕ СИСТЕМЫ АДРЕСНОЙ ДОСТАВКИ ЛЕКАРСТВЕННЫХ МОЛЕКУЛ И СРЕДСТВ ДИАГНОСТИКИ. 2017, Москва

11. Roman Chuprov-NetochinElena MarusichYaroslavNeskorodovYana MishutkinaPolina VolynchukYanIvanenkovAlisher TouraevSergey LeonovKlaus Palme. Method for Ultrarapid High-Content Screening for Biologically Active Chemicals Using Plant Pollen in Plant Chemical Genomics, pp 27-37, 2018

REVIEW ARTICLES

1. Kiselyov A, Balakin KV, Tkachenko SE, et al. Recent progress in development of Non-ATP competitive small-molecule inhibitors of protein kinases. Mini Rev Med Chem. 2006 Jun;6(6):711-7.

2. Balakin K.V., Kozintsev A.V., Kiselyov A.S., et al. Rational design approaches to chemical libraries for hit identification. Curr. Drug Discov. Technol., 2006, 3, 49-65;

3. Kiselyov A, Balakin K.V, Tkachenko S.E. VEGF/VEGFR signalling as a target for inhibiting angiogenesis. Expert Opin. Investig. Drugs., 2007, 16, 83-107;

4. Balakin K.V, Ivanenkov Y.A., et al. Histone Deacetylase Inhibitors in Cancer Therapy: Latest Developments, Trends and Medicinal Chemistry Perspective. Anti-Cancer Agents Med. Chem. 2007, 7, 576-592;

5. Ivachtchenko A.V., Kiselyov A.S., Tkachenko S.E., Ivanenkov, Y.A., Balakin K.V. Novel mitotic targets and their small-molecule inhibitors. Curr. Cancer Drug Targets, 2007, 7, 766-84;

6. Ivanenkov Y.A., Balakin, K.V., Tkachenko, S.E. New approaches to the treatment of inflammatory disease: focus on small-molecule inhibitors of signal transduction pathways. Drugs R D. 2008, 9, 397-434;

7. K.V. Balakin, Y.A. Ivanenkov, et al. Regulators of Chemokine Receptor Activity as Promising Anticancer Therapeutics. Current Cancer Drug Targets, 2008, 8, 299-340;

8. Okun I, Balakin K.V., et al. Caspase activity modulators as anticancer agents. Anticancer Agents Med Chem. 2008, 8, 322-341;

9. Y. Lavrovsky, Y.A. Ivanenkov, K.V. Balakin, A.V. Ivachtchenko. CXCR4 receptor as a promising target for oncolytic drugs. Mini-Reviews in Medicinal Chemistry, 2008, 8, 1075-1087;

10. Ivanenkov Y.A., et al. Computational mapping tools for drug discovery. Drug Discovery Today, 2009, 14, 767-75;

11. Ivanenkov Y.A., et al. Nonlinear mapping techniques for prediction of pharmacological properties of chemical compounds, Russian Chemical Reviews, 78(5), 2009, 503-523;

12. K.V.Balakin, Y.A.Ivanenkov, N.P.Savchuk. Compound library design for target families. Methods Mol Biol. 2009, 575, 21-46;

13. A.V. Ivachtchenko, Y.A. Ivanenkov, S.E. Tkachenko. 5-HT6 receptor modulators: a patent survey. Expert Opinion On Therapeutic Patents. 2010, 20(9), 1171-1196;

14. А.В. Иващенко, Я.А. Иваненков и др. Многокомпонентные реакции изоцианидов в синтезе гетероциклов, Успехи Химии, 2010, 79(9), 861-893. A.V. Ivachtchenko, Y.A. Ivanenkov, et al. Multicomponent reactions of isocyanides in the synthesis of heterocycles, Russian Chemical Reviews, 2010, 79(9), 861-893;

15. Ivanenkov, Y.A. Balakin K.V., Lavrovski Y. Small Molecule Inhibitors of NF-kB and JAK/STAT Signal Transduction Pathways as Promising Anti-inflammatory Therapeutics, Mini-Reviews in Medicinal Chemistry, 2011, 11, 1-24;

16. Волкова Т.Г., Иваненков Я.А. и др. Виртуальный скрининг органических соединений: теоретические и практические основы методологии // Известия вузов, Химия и химическая технология. 2011, Т. 54, №. 10 Стр. 3-20;

17. Иваненков Я.А. Направленный поиск новых лекарственных соединений и анализ механизмов их действия. Биомика, 2011, Том 1, №1, 76-100;

18. AV Ivachtchenko & YA Ivanenkov. 5HT6 receptorantagonists: a patent update. Part 1. Sulfonyl derivatives. Expert Opin. Ther. Patents, 2012, 22, 917-964;

19. AV Ivachtchenko, YA Ivanenkov et al. 5HT6 receptormodulators: a patent update. Part 2. Diversity in heterocyclic scaffolds, Expert Opinion on Therapeutic Patents Expert Opin Ther Pat. 2012, 22(10), 1123-68;

20. Alexandre V. Ivachtchenko and YA Ivanenkov. Small Molecule 5HT6R Ligands: a Comprehensive Insight into their Selectivity and Activity. Current Bioactive Compounds, 2013, V.9, N.1, pp. 64-100(37).

21. Ivanenkov Y.A. and Chufarova N. Small-molecule arginase inhibitors. Pharmaceutical Patent Analyst. 2014, 3(1), 1–20.

22. Yan A. Ivanenkov et al. DIETARY POLYPHENOLS FOR PROSTATE CANCER THERAPY. Current Bioactive Compounds, 2014, 10(2), 76-111

23. Yan A. Ivanenkov et al. Computational approaches to design of novel 5-HT6R ligands. Reviews in the Neurosciences. Rev Neurosci. 2014;25(3):451-67

24. Yan A. Ivanenkov, et al. A Comprehensive Insight into the Chemical Space and ADME Features of Small Molecule NS5A Inhibitors. Curr Top Med Chem. 2016;16(12):1372-82

25. Yan A. Ivanenkov, et al. In silico approaches to the design of NS5A inhibitors, Curr Top Med Chem. 2016;16(12):1383-91

26. Alexander G. Majouga, Yan A. Ivanenkov, et al. Recent advances in the synthesis of Fe3O4@Au core/shell nanoparticles. Journal of Magnetism and Magnetic Materials. Volume 394, 15 November 2015, Pages 173–178

27. Ivanenkov YA, Veselov MS, Chufarova NV, Majouga AG, Kudryavceva AA, Ivachtchenko AV. Non-dopamine receptor ligands for the treatment of Parkinson's disease. Insight into the related chemical/property space. Mol Divers. 2016 Feb;20(1):345-65.

28. Alexander G. Majouga, Yan A. Ivanenkov, et al. Small-molecule PSMA Ligands. Current State, SAR and Perspectives, Journal of Drug Targeting, 2016 Sep;24(8):679-93

29. Ivanenkov et al. Small-molecule Inhibitors of Hepatitis C virus (HCV) non-structural protein 5A (NS5A): a patent review (2010-2015). Expert Opin Ther Pat. 2017 Apr;27(4):401-414. doi: 10.1080/13543776.2017.1272573

30. Ya A Ivanenkov, S Yu Maklakova, E K Beloglazkina, N V Zyk, A G Nazarenko, A G Tonevitsky, V E Koteliansky, A G Majouga, "Experimental trends in the development of agents for the targeted drug delivery to liver cells", RUSS CHEM REV, 2017, 86 (8), in press DOI: https://doi.org/10.1070/RCR4707

JOURNAL ARTICLES (representative list of scientific papers - journal articles - in the field of Computational and Medicinal Chemistry)

1. Ivanenkov Y.A., Balakin K.V., et al. Application of advanced machine learning algorithm for profiling specific GPCR-active compounds. Chem. Today, 2003, 21, 72-75.

2. Nikolsky Y., Ivanenkov Y.A., et al. Intelligent machine learning technologies in pre-synthetic combinatorial design. PharmaChem., 2003, 4, 68-72.

3. Korolev D., Ivanenkov Y.A., et al. Modeling of human cytochrome P450-mediated drug metabolism using unsupervised machine learning approach. J. Med. Chem., 2003, 46, 3631-3643.

4. Zernov V.V., Balakin K.V., Ivashchenko A.A. et al. Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness and enzyme inhibition predictions. J. Chem. Inf. Comput. Sci. 2003, 43, 2048-2056.

5. Ivanenkov Y.A., Balakin K.V., et al. Advanced Data Mining Tools for Compounds Libraries. European Biotechnology News., 2003, 2, 40-41.

6. Balakin K.V., Lang S.A., Skorenko A.V., Tkachenko S.E., et al. Structure-based versus property-based approaches in the design of G-protein-coupled receptor-targeted libraries. J. Chem. Inf. Comput. Sci. 2003, 43, 1553-1562.

7. Balakin K.V., Ivanenkov Y.A., et al. In silico estimation of DMSO solubility of organic compounds for bioscreening. J. Biomol. Scr., 2004, 9, 22-31.

8. Balakin K.V., Ivanenkov Y.A., et al. Bioisosteric morphing in primary hit optimization. Chem. Today, 2004, 22, 15-18.

9. Tkachenko S.E., Ivanenkov Y.A., et al. Efficient optimization strategy for marginal hits active against Abl tyrosine kinases. Current Drug. Disc. Techn., 2004, 1, 201-210.

10. Balakin K.V., Ivanenkov Y.A., et al. Quantitative structure-metabolism relationship modeling of the metabolic N-dealkylation rates. Drug Metab. Dispos., 2004, 32, 1111-1120.

11. Balakin K.V., Ivanenkov Y.A., et al. Kohonen maps for prediction of binding to human cytochrome P450. Drug Metab. Dispos., 2004, 32, 1183-1189.

12. Балакин К.В., Иваненков Я.А. и др. Разработка и экспериментальная валидация классификационной вычислительной модели для оценки растворимости органических соединений в диметилсульфоксиде // Известия высших учебных заведений. Химия и химическая технология, 2004, 47(7), 102-109.

13. Балакин К.В., Иваненков Я.А. и др. Построение классификационных моделей для виртуального скрининга // Журн. Орг. Фарм. Хим. 2004. Т. 2. № 3(7). С. 47-53.

14. К. В. Балакин, Я. А. Иваненков. Компьютерные методы прогнозирования метаболизма физиологически активных веществ // Биомедицинская Химия, 2004, 51(2), 384-412.

15. Балакин К.В., Иваненков Я.А. и др. Построение классификационной модели для виртуального скрининга ингибиторов тирозиновых киназ // Журн. Орг. Фарм. Хим. 2004. Т. 2. № 4(8). С. 48-53.

16. Соловьев М.Ю., Иваненков Я.А. и др. Синтез, строение и свойства ряда 3-сульфамидных производных пиридина // Изв. ВУЗов. Химия и хим. технология. 2004. Т. 47. № 2. С. 28-36.

17. Nikolay P Savchuk, Konstantin V Balakin, et al. Exploring the chemogenomic knowledge space with annotated chemical libraries. Current Opinion in Chemical Biology, 2004, 8, 412-417.

18. K. V. Balakin, Y. A. Ivanenkov, N.P., et al. Comprehensive computational assessment of ADME properties using mapping techniques. Curr. Drug Disc. Techn., 2005, 2, 99-113.

19. Балакин К.В., Иваненков Я.А. и др. Профилирование мишень-специфичной активности комбинаторных библиотек органических соединений с использованием карт Кохонена // Журн. Орг. Фарм. Хим. 2005. Т. 3. № 1. С. 6-11.

20. Журавель И.А., Иваненков Я.А. и др. Синтез и виртуальный скрининг библиотек 2H-пирано[2,3-с]пиридинов с целью рационального отбора соединений-кандидатов для биологических испытаний на киназную активность // Журн. Орг. Фарм. Хим. (Украина). 2005, 1, 6-11.

21. Ekins S, Ivanenkov Y.A., et al. Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniques. J. Med. Chem., 2006, 49, 5059-71.

22. Кравченко Д.В., Иваненков Я.А. и др. Дизайн и синтез новых непептидных ингибиторов каспазы-3 // Химико-фармацевтический журнал. 2006. Т. 3. С. 125-129.

23. Kiselyov A., Tkachenko S.E., Balakin K.V., et al. Small molecule modulators of Hh and Wnt signaling pathways. Expert Opinion, 2007, 1-15.

24. Балакин К.В., Иваненков Я.А. и др. Компьютерные методы прогнозирования мишень-специфической активности в разработке новых противоопухолевых соединений. Психофармакология и биологическая наркология, Т.7, №4, 2007.

25. Kiselyov AS, Milligan D, Ouyang X., et al. Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg. Med. Chem. Lett., 2007, 17, 3550-7;

26. Chekmarev DS, Ivanenkov YA, et al. Shape signatures: New descriptors for predicting cardiotoxicity in silico. Chem. Res. Toxicol., 2008, 21(6), 1304-14.

27. Волкова Т.Г., Балакин К.В., Иваненков Я.А., Клюев М.В. Прогнозирование биологической активности структурных аналогов бензилиденанилина // Жидкие кристаллы и их практическое использование. 2010. Т.3. С. 57-63.

28. Tambov K.V., Voevodina I.V., Manaev A.V., Ivanenkov Ya.A., Neamati N., Traven V.F., “Structuresand Biological Activity of Cinnamoyl Derivatives of Coumarins and Dehydroacetic Acid and their BoronDifluoride Complexes”, Russ. Chem. Bull., 61:1 (2012), 78–90;

29. Т.Г. Волкова, К.В. Балакин, Я.А. Иваненков, Н.А. Магдалинова, М.В. Клюев, Прогнозирование мишень - специфичной активности алкилиденанилинов и полученных из них вторичных аминов: КССС-модель. Известия вузов. Химия и хим. технология. 2011. Т. 54. №. 2. С. 13-17;

30. Y. Sandulenko, M. Krasavin. Natural products as templates for bioactive compound libraries: Part 3. Novel heterocycles and peptidomimetics generated from anabasine by isocyanide-based multicomponent reactions. Chem. Heterocycl. Compd. 2012, 48, 606-612.

31. Alexandre V. Ivachtchenko, Yan A. Ivanenkov et al. A novel influenza virus neuraminidase inhibitor AV5027, Antiviral research, 100(3), 2013, 698–708

32. Ivachtchenko AV, Ivanenkov YA, et al. Novel oral anti-influenza prodrug candidate AV5075S. Journal of Antimicrobial Chemotherapy, 2014, 69(5), 1311-24

33. Alexandre V. Ivachtchenko, Yan A. Ivanenkov, Mark Veselov et al. Novel oral anti-influenza drug candidate AV5080. Journal of Antimicrobial Chemotherapy, 2014, Jul;69(7):1892-902

34. Mikhail Krasavin, Yan Ivanenkov, et al. Discovery of Potent, Orally Available, Selective COX-2 Inhibitors Based on 2-Imidazoline Core. EJMC, 2014, Sep 12;84:160-72

35. Yan A. Ivanenkov, Alexander G. Majouga, et al. Design, synthesis and biological evaluation of novel potent MDM2/p53 small-molecule inhibitors. Bioorg Med Chem Lett. 2015 15;25(2):404-9

36. Alexandre V. Ivachtchenko and Yan A. Ivanenkov. Design, synthesis and biological evaluation of novel 5-oxo-2-thioxoimidazolidine derivatives as potent androgen receptor antagonists. Eur J Med Chem. 2015 Jun 24;99:51-66

37. Ivachtchenko AV, Mitkin OD, Yamanushkin PM, Kuznetsova IV, Bulanova EA, Shevkun NA, Koryakova AG, Karapetian RN, Bichko VV, Trifelenkov AS, Kravchenko DV, Vostokova NV, Veselov MS, Chufarova NV, Ivanenkov YA. Discovery of Novel Highly Potent Hepatitis C Virus NS5A Inhibitor (AV4025). J Med Chem. 2014 Sep 25;57(18):7716-30

38. Alexey Lukin, Ruben Karapetian, Yan Ivanenkov, Mikhail Krasavin. Privileged 1,2,4-Oxadiazoles in Anticancer Drug Design: Privileged 1,2,4-Oxadiazoles in Anticancer Drug Design: Novel 5- Aryloxymethyl-1,2,4-oxadiazole Leads for Prostate Cancer Therapy. Letters in Drug Design & Discovery, 2016, 13(3), 198-204

39. Alexandre V. Ivachtchenko and Yan A. Ivanenkov. AVN-211, Novel and Highly Selective 5-HT6 Receptor Small Molecule Antagonist, for the Treatment of Alzheimer's Disease. Molecular Pharmaceutics, 2016 Mar 7;13(3):945-63

40. Alexandre V. Ivachtchenko, Yan A. Ivanenkov, etal. Pre-clinical characterization of AV5080, a new oral influenza neuraminidase inhibitor, active against Oseltamivir-resistant virus. Virology and Mycology 2015, Volume 4, Issue 2, p.23

41. Yan A. Ivanenkov, et al. Synthesis, isomerization and biological activity of novel 2-selenohydantoin derivatives, Bioorg Med Chem. 2016 Feb 15;24(4):802-11

42. Sergiev PV, Osterman IA, Golovina AY, Laptev IG, Pletnev PI, Evfratov SA, Marusich EI, Leonov SV, Ivanenkov YA, Bogdanov AA, Dontsova OA. Application of reporter strains for new antibiotic screening. Biomed Khim. 2016 Mar-Apr;62(2):117-23. doi: 10.18097/PBMC20166202117

43. Nikolay A Bushkov; Mark S Veselov; Roman N Chuprov-Netochin; Elena I Marusich; Alexander G Majouga; Polina B Volynchuk; Daria V Shumilina; Sergey V Leonov; Yan A Ivanenkov. Computational insight into the chemical space of plant growth regulators, Phytochemistry, 2016 Feb;122:254-64.

44. Veselov MS, Sergiev PV, Osterman IA, Skvortsov DA, Golovina AY, Andreyanova ES, Laptev IG, Pletnev PI, Evfratov SA, Marusich EI, Leonov SV, Ivanenkov YA, Bogdanov AA, Dontsova OA. Common features of antibacterial compounds: an analysis of 104 compounds library. Biomed Khim. 2015 Nov-Dec;61(6):785-90. doi: 10.18097/PBMC20156106785.

45. Alexander G. Majougaa, Yan A. Ivanenkov, et al. Identification of Novel Small-Molecule ASGP-R Ligands. Curr Drug Deliv. 2016;13(8):1303-1312

46. Сергиев П.В., Остерман И.А., Головина А.Я., Андреянова Е.С., Лаптев И.Г., Плетнев Ф.И., Евфратов С.А., Марусич Е.И., Веселов М.С., ЛеоновС.В., Иваненков Я.А., Богданов А.А., Донцова О.А. Высокопроизводительная платформа для скринингановых ингибиторов биосинтеза белка. ВестникМосковского Университета. СЕР. Химия 2015, том 56, № 6, стр. 405-408

47. Elena K. Beloglazkina, Eugeniy A. Manzheliy, Anna A. Moiseeva, Olga A. Maloshitskaya, Nikolai V. Zyk, Dmitry A. Skvortsov, Ilya A. Osterman, Petr V. Sergiev, Olga A. Dontsova, Yan A. Ivanenkov, Mark S. Veselov, Alexander G. Majouga. Synthesis, characterization, cytotoxicity and antibacterial activity of ruthenium(II) and rhodium(III) complexes with sulphur-containing terpyridines. Polyhedron, 2016, 107, 27-37

48. Ekaterina Komarova, Ilya Osterman, Philipp Pletnev, Yan Ivanenkov, Alexander Majouga, Alexey Bogdanov. 2-Guanidino-quinazolines as a Novel Class of Translation Inhibitors. Biochimie. 2017 Feb;133:45-55. doi: 10.1016/j.biochi.2016.11.008

49. Ilya Osterman, Ekaterina Komarova, Dmitry Shiryaev, Ilya Korniltsev, Irina Khven, Dmitry Lukyanov, Vadim Tashlitsky, Marina Serebryakova, Olga Efremenkova, Yan Ivanenkov, Alexey Bogdanov, Petr Sergiev, and Olga Dontsova. Sorting out antibiotics’ mechanisms of action: a double fluorescent protein reporter for high throughput screening of ribosome and DNA biosynthesis inhibitors. Antimicrob Agents Chemother. 2016 Nov 21;60(12):7481-7489

50. Yan A. Ivanenkov, Alexander G. Majouga, et al. Reaction of arylboronic acids with 5-aryl-3-substituted-2-thioxoimidazolin-4-ones. Tetrahedron Letters, Volume 57, Issue 49, 7 December 2016, Pages 5501-5504.

51. P.V. Sergiev, I.A. Osterman. A.Ya. Golovina. E.S. Andreyanova. I.G. Laptev, F. I. Pletnev, S. A. Evfratov, E. I. Marusich, M. S. Veselov, S. V. Leonov, Y.A. Ivanenkov, A. A. Bogdanov, O. A. Dontsova. High throughput screening platform for new inhibitors of protein biosynthesis. Moscow Univ. Chem. Bull. (2016) 71: 65. doi:10.3103/S0027131416010144

52. Ivachtchenko AV, Ivanenkov YA, Veselov MS, Ikun IM. AVN-322 is a Safe Orally Bio-Available Potent and Highly Selective Antagonist of 5-HT6R with Demonstrated Ability to Improve Impaired Memory in Animal Models. Curr Alzheimer Res. 2017, 14(3), 268–294, DOI: 10.2174/1567205013666161108105005.

53. AVN-492, A Novel Highly Selective 5-HT6R Antagonist: Preclinical Evaluation. Ivachtchenko AV, Okun I, Aladinskiy V, Ivanenkov Y, Koryakova A, Karapetyan R, Mitkin O, Salimov R, Ivashchenko A. J Alzheimers Dis. 2017;58(4):1043-1063. doi: 10.3233/JAD-161262.

54. Aleksey Nikitina, Mariia Fedorova, Victor Naumenko, Igor Shchetinin, Maksim Abakumov, Alexander Erofeeva, Petr Gorelkin, Georgy Meshkov, Elena Beloglazkina, Yan Ivanenkov. Synthesis, characterization and MRI application of

magnetite water-soluble cubic nanoparticles. Journal of Magnetism and Magnetic Materials. Volume 441, 1 November 2017, Pages 6–13. https://doi.org/10.1016/j.jmmm.2017.05.039. Impact Factor: 2.357

55. Mikhail Proskurnin, Ivan Sorokin, Oleg Gromov, Anna Udina, Vladimir Aladinskiy, Dmitry Skvortsov, Radik Shafikov, Yan Ivanenkov, Kseniya Tishchenko, Elena Beloglazkina, Vladislav Malinnikov, Dmitry Guk, Olga Krasnovskaya, Alexander Mazhuga, Nikolay Zyk, Marina Muratova. New copper(II) thiohydantoin complexes: Synthesis, characterization, and assessment of their interaction with bovine serum albumin and DNA. J Inorg Biochem. 2017 Oct;175:190-197, doi: 10.1016/j.jinorgbio.2017.07.015

56. Synthesis and biological evaluation of novel mono- and bivalent ASGP-R-targeted drug-conjugates. Petrov RA, Maklakova SY, Ivanenkov YA. Et al. Bioorg Med Chem Lett. 2017 Dec 14. pii: S0960-894X(17)31192-7. doi: 10.1016/j.bmcl. 2017.12.032.

57. Synthesis and biological evaluation of novel doxorubicin-containing ASGP-R-targeted drug-conjugates. Ivanenkov YA, et al. Bioorg Med Chem Lett. 2017 Dec 12. pii: S0960-894X(17)31164-2. doi: 10.1016/j.bmcl.2017.12.004

58. N-ПИРИДИНИЛ ЗАМЕЩЕННЫЕ АМИДЫ КАРБОКСИПИПЕРИДИНОВ КАК НОВЫЙ КЛАСС ИНГИБИТОРОВ ТРАНСЛЯЦИИ ПРОКАРИОТ. Я.А. Иваненков, Е.С. Комарова (Андреянова), И.А. Остерман, П.В. Сергиев, Р.С. Ямиданов, Е.В. Дейнека, В.А. Терентьев, Г.И. Фильков, Р.С. Ямиданов, А.А. Софронова, А.Г. Мажуга, О.А. Донцова. Химико-фармацевтический журнал, принята в печать 2017.

59. Synthesis and Investigation of Photophysical and Biological Properties of Novel S-Containing Bacteriopurpurinimides. Mironov AF, Grin MA, Pantushenko IV, Ostroverkhov PV, Ivanenkov YA, Filkov GI, Plotnikova EA, Karmakova TA, Starovoitova AV, Burmistrova NV, Yuzhakov VV, Romanko YS, Abakumov MA, Ignatova AA, Feofanov AV, Kaplan MA, Yakubovskaya RI, Tsigankov AA, Majouga AG. J Med Chem. 2017 Dec 28;60(24):10220-10230

60. Adversarial Threshold Neural Computer for Molecular de Novo Design. Putin E, Asadulaev A, Vanhaelen Q, Ivanenkov Y, Aladinskaya AV, Aliper A, Zhavoronkov A. Mol Pharm. 2018 Mar 30. doi: 10.1021/acs.molpharmaceut.7b01137. [Epub ahead of print]

61. Putin E, Asadulaev A, Ivanenkov Y, Aladinskiy V, Sanchez-Lengeling B, Aspuru-Guzik A, Zhavoronkov A. Reinforced Adversarial Neural Computer for de Novo Molecular Design. J Chem Inf Model. 2018 Jun 25;58(6):1194-1204.

62. Chuprov-Netochin R, Marusich E, Neskorodov Y, Mishutkina Y, Volynchuk P, Ivanenkov Y, Touraev A, Leonov S, Palme K. Method for Ultrarapid High-Content Screening for Biologically Active Chemicals Using Plant Pollen. Methods Mol Biol. 2018; 1795:27-37

63. Ivanenkov YA et al. Synthesis and Biological Evaluation of Novel Small-molecule PSMA-targeted Conjugates, BMC, 2018, submitted

64. Polykovskiy D, Zhebrak A, Vetrov D, Ivanenkov Y, Aladinskiy V, Bozdaganyan M, Mamoshina P, Aliper A, Zhavoronkov A, Kadurin A. Entangled ConditionalAdversarial Autoencoder for de-novo Drug Discovery. Mol Pharm. 2018 Sep 4. doi: 10.1021/acs.molpharmaceut.8b00839. [Epub ahead of print]