В.В. Поройков

Pikalyova K., Orlov A., Lin A., Tarasova O., Marcou G., Horvath D., Poroikov V., Varnek A. HIV-1 drug resistance profiling using amino acid sequence space cartography. Bioinformatics, 2022, 38(8), 2307-2314.. DOI: 10.1093/bioinformatics/btac090

Karasev D.A., Sobolev B.N., Lagunin A.A., Filimonov D.A., Poroikov V.V. The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain. Computational Biology and Chemistry, 2022, 98, 107674. DOI: 10.1016/j.compbiolchem.2022.107674.

Ivanov S., Lagunin A., Filimonov D., Poroikov V. Relationships between the structure and severe drug-induced liver injury for low, medium and high doses of drugs. Chemical Research in Toxicology, 2022, 2022, 35 (3), 402–411. DOI: 10.1021/acs.chemrestox.1c00307

Horishny М., Geronikaki A., Kartsev V., Matiychuk V., Petrou A., Pogodin P., Poroikov V., Papadopoulou T.A., Vizirianakis I.S., Kostic M., IvanovM., Sokovic M. Synthesis, biological evaluation and molecular docking studies of 5-indolylmethylen-4-oxo-2-thioxothiazolidine derivatives. Molecules, 2022, 27, 1068. DOI: 10.3390/molecules27031068

Бочарова О.А., Казеев И.В., Шевченко В.Е., Шейченко О.П., Поройков В.В., Бочаров Е.В., Карпова Р.В., Ионов Н.С., Кучеряну В.Г., Косоруков В.С., Матвеев В.Б., Стилиди И.С. Возможности стандартизации мультифитоадаптогена: тандемная масс-спектрометрия для анализа биологически активных веществ родиолы розовой. Химико-фармацевтический журнал, 2022, 56 (1), 32-38. DOI: 10.30906/0023-1134-2022-56-1-32-38

Muratov E.N., Amaro R., Andrade C.H., Brown N., Ekins S., Fourches D., Isayev O., Kozakov D., Medina-Franco J., Merz K.M., Oprea T.I., Poroikov V., Schneider G., Todd M.H., Varnek A., Winkler D.A., Zakharov A., Cherkasov A., Tropsha A. A critical overview of computational approaches employed for COVID-19 drug discovery. Chemical Society Reviews, 2021, 50, 9121-9151. DOI: 10.1039/d0cs01065k

Madugula S.S., John L., Nagamani S., Gaur A.S., Poroikov V.V., Sastry G.N. (2021). Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing. Computers in Biology and Medicine, 138, 104856. DOI: 10.1016/j.compbiomed.2021.104856

Costa R., Lucena L., Silva L., Zocolo G., Herrera-Acevedo C., Scotti L., Da Costa F., Ionov N., Poroikov V., Muratov E., Scotti M. SistematX: Web portal of natural products. Journal of Chemical Information and Modeling, 2021, 61(6), 2516–2522. DOI: 10.1021/acs.jcim.1c00083.

Tarasova O., Rudik A., Kireev D., Poroikov V. (2021). RHIVDB: A freely accessible database of HIV amino acid sequences and clinical data of infected patients. Frontiers in Genetics, 2021, 12, 679029. DOI: 10.3389/fgene.2021.679029.

Zveaghintseva M., Stingaci E., Pogrebnoi S., Smetanscaia A., Valica V., Uncu L., Kravtsov V., Melnik E., Petrou A., Glamočlija J., Soković M., Carazo A., Mladěnka P., Poroikov V., Geronikaki A., Macaev F. Chromenol derivatives as novel antifungal agents. Synthesis, in silico and in vitro evaluation. Molecules, 2021, 26, 4304. DOI: 10.3390/molecules26144304

Dmitriev A.V., Rudik A.V., Karasev D.A., Pogodin P.V., Lagunin A.A., Filimonov D.A., Poroikov,V.V. In silico prediction of drug–drug interactions mediated by cytochrome P450 isoforms. Pharmaceutics, 2021, 13, 538. https://doi.org/10.3390/pharmaceutics13040538

Tarasova O., Poroikov V. Machine learning in discovery of new antivirals and optimization of viral infections therapy. Current Medicinal Chemistry, 2021, 28, 7840-7861. DOI: 10.2174/0929867328666210504114351

Dembitsky V.M., Gloriozova T.A., Poroikov V.V. (2021). Antitumor profile of carbon-bridged steroids (CBS) and triterpenoids. Marine Drugs, 19, 324. DOI: 10.3390/md19060324

Tarasova O.A., Biziukova N.Yu., Rudik A.V., Dmitriev A.V., Filimonov D.A., Poroikov V.V. (2021). Extraction of data on parent compounds and their metabolites from texts of scientific abstracts. Journal of Chemical Information and Modeling, 61 (4), 1683–1690. DOI: 10.1021/acs.jcim.0c01054,

Kamoutsis C., Fesatidou M., Petrou A., Geronikaki A., Poroikov V., Ivanov M., Sokovic M., Ciric A., Carazo A., Mladenka P. Triazolo based-thiadiazole derivatives. Synthesis, biological evaluation and molecular docking studies. Antibiotics, 2021, 10, 804. DOI: 10.3390/antibiotics10070804

Dmitriev A.V., Rudik A.V., Karasev D.A., Pogodin P.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. In silico prediction of drug–drug interactions mediated by cytochrome P450 isoforms. Pharmaceutics, 2021, 13, 538. DOI: 10.3390/pharmaceutics13040538.

Rudik A., Dmitriev A., Lagunin A., Filimonov D., Poroikov V. (2021). MetaPASS: a web application for analyzing the biological activity spectrum of organic compounds taking into account their biotransformation. Molecular Informatics, 40 (4), 2000231 DOI: 10.1002/minf.202000231.

Ионов Н.С., Барышникова М.А., Бочаров Е.В., Погодин П.В., Лагунин А.А., Филимонов Д.А., Карпова Р.В., Косоруков В.С., Стилиди И.С., Матвеев В.Б., Бочарова О.А., Поройков В.В. Возможности оценок in silico для разработки фармкомпозиции фитоладаптоген, цитотоксичной для клеток рака мочевого пузыря. Биомедицинская химия, 2021, 67 (3), 278-288. DOI: 10.18097/PBMC20216703278 / Ionov N.S., Baryshnikova M.A., Bocharov E.V., Pogodin P.V., Lagunin A.A., Filimonov D.A., Karpova R.V., Kosorukov V.S., Stilidi I.S., Matveev V.B., Bocharova O.A., Poroikov V.V. Possibilities of in silico estimations for the development of the pharmaceutical composition phytoladaptogene cytotoxic for bladder cancer cells. Biochemistry (Moscow), Supplement Series B: Biomedical Chemistry, 2021, 15(4), 290–300. DOI: 10.1134/S1990750821040041

Уэйли А.К., Понкратова А.О., Орлова А.А., Серебряков Е.Б., Смирнов С.Н., Прокш П., Ионов Н.С., Поройков В.В., Лужанин В.Г. (2021). Фитохимический анализ вторичных метаболитов полифенольной природы в листьях морошки обыкновенной (Rubus Chamaemorus L.). Химико-фармацевтический журнал, 55 (3), 22-27. DOI: 10.30906/0023-1134-2021-55-3-22-27

Поройков В.В. Поиск новых фармакологических веществ на основе компьютерного прогнозирования спектров биологической активности. Лаборатория и производство, 2021, № 1, 72-80. DOI: 10.32757/2619-0923.2021.1.16.72.80

Savosina P.I., Druzhilovskiy D.S., Poroikov V.V. (2021). COVID-19: Analysis of drug repositioning practice. Pharmaceutical Chemistry Journal, 54 (10), 989-996. DOI: 10.1007/s11094-021-02308-0

Dembitsky V.M., Ermolenko E., Savidov N., Gloriozova T.A., Poroikov V.V. Antiprotozoal and antitumor activity of natural polycyclic endoperoxides: origin, structures and biological activity. Molecules, 2021, 26(3), 686.  DOI: 10.3390/molecules26030686

Ionov N., Pogodin P., Poroikov V. (2020). Assessing the Prediction Quality of the Anti-SARS-CoV-2 Activity Using the D3Targets-2019-nCoV Web Service. Biomedical Chemistry: Research and Methods, 3(4), e00140. DOI: 10.18097/BMCRM00140

Поройков В.В. (2020). Компьютерное конструирование лекарств: от поиска новых фармакологических веществ до системной фармакологии. Биомедицинская химия, 66 (1), 30-41. DOI: 10.18097/PBMC20206601030. / Poroikov V.V. (2020). Computer-aided drug design: from discovery of novel pharmaceutical agents to systems pharmacology. Biochemistry (Moscow), Supplement Series B: Biomedical Chemistry, 14 (3), 216–227. DOI: 10.1134/S1990750820030117

Lloyd K., Papoutsopoulou S., Smith E., Stegmaier P., Bergey F., Morris L., Kittner M., England H., Spiller D., White M.H.R., Duckworth C.A., Campbell B.J., Poroikov V., Martins dos Santos V.A.P., Kel A., Muller W., Pritchard D.M., Probert C., Burkitt M.D., the SysmedIBD consortium. (2020). Using systems medicine to identify a therapeutic agent with potential for repurposing in inflammatory bowel disease. Disease Models & Mechanisms, 13, dmm044040. DOI: 10.1242/dmm.044040

Biziukova N., Tarasova O., Ivanov S., Poroikov V. (2020). Automated extraction of information from texts of scientific publications: insights into HIV treatment strategies. Frontiers in Genetics, 11, 618862. DOI: 10.3389/fgene.2020.618862

Ermolenko E., Imbs A., Gloriozova T., Poroikov V.V., Sikorsky T., Dembitsky V. (2020). Chemical diversity of soft coral steroids and their determined and potential pharmacological activities. Marine Drugs, 2020, 18, 613. DOI: 10.3390/md18120613

Druzhilovskiy D.S., Stolbov L.A., Savosina P.I., Pogodin P.V., Filimonov D.A., Veselovsky A.V., Stefanisko K., Tarasova N.I., Nicklaus M.C., Poroikov V.V. (2020). Computational approaches to identify a hidden pharmacological potential in large chemical libraries. Supercomputing Frontiers and Innovations, 7 (3), 57-76. DOI: 10.14529/jsfi200306

Lagunin A., Povydysh M., Ivkin D., Luzhanin V., Krasnova M., Okovityi S., Nosov A., Titova M., Tomilova S., Filimonov D., Poroikov V. (2020). Antihypoxic action of Panax Japonicus, Tribulus Terrestris and Dioscorea Deltoidea cell cultures: in silico and animal studies. Molecular Informatics, 2020, 39, 2000093. DOI: 10.1002/minf.202000093

Filimonov D.A., Rudik A.V., Dmitriev A.V., Poroikov V.V. (2020). Computer-aided estimation of biological activity profiles of drug-like compounds taking into account their metabolism in human body. Int. J. Mol. Sci., 2020, 21, 7492; DOI: 10.3390/ijms21207492

Филимонов Д.А., Рудик А.В., Дмитриев А.В., Лагунин А.А., Поройков В.В. (2020). Компьютерная оценка вероятности образования метаболитов ксенобиотиков в организме человека. Биофизика, 65 (6), 1203-1210. DOI: 10.31857/S0006302920060204

Tarasova O., Ivanov S., Filimonov D.A., Poroikov V. (2020). Data and text mining help identify key proteins involved in the molecular mechanisms shared by SARS and HIV. Molecules, 25, 2944.  DOI: 10.3390/molecules25122944

Dembitsky V.M., Gloriozova T.A., Poroikov V.V. (2020). Pharmacological profile of natural and synthetic compounds with rigid adamantane-based scaffolds as potential agents for the treatment of neurodegenerative diseases. Biochem. Biophys. Res. Communs., 529 (2020) 1225-1241. DOI: 10.1016/j.bbrc.2020.06.123

Muratov E.N., Bajorath J., Sheridan R.P., Tetko I., Filimonov D., Poroikov V., Oprea T., Baskin I.I., Varnek A., Roitberg A., Isayev O., Curtalolo S., Fourches D., Cohen Y., Aspuru-Guzik A., Winkler D.A., Agrafiotis D., Cherkasov A., Tropsha A. QSAR Without Borders. Chemical Society Reviews, 2020, 49, 3525-3564. DOI: 10.1039/d0cs00098a

Mansouri K., Kleinstreuer N., Abdelaziz A.M., Alberga D., Alves V.M., Andersson P.L., Andrade C.H., Bai F., Balabin I., Ballabio D., Benfenati E., Bhhatarai B., Boyer S., Chen J., Consonni V., Farag S., Fourches D., García-Sosa A.T., Gramatica P., Grisoni F., Grulke C.M., Hong H., Horvath D., Hu X., Huang R., Jeliazkova N., Li J., Li X., Liu H., Manganelli S., Mangiatordi G.F., Maran U., Marcou G., Martin T., Muratov E., Nguyen D.-T., Nicolotti O., Nikolov N.G., Norinder U., Papa E., Petitjean M., Piir G., Pogodin P., Poroikov V., Qiao X., Richard A.M., Roncaglioni A., Ruiz P., Rupakheti C., Sakkiah S., Sangion A., Schramm K.-W., Selvaraj C., Shah I., Sild S., Sun L., Taboureau O., Tang Y., Tetko I.V., Todeschini R., Tong W., Trisciuzzi D., Tropsha A., Van Den Driessche G., Varnek A., Wang Z., Wedebye E.B., Williams A.J., Xie H., Zakharov A.V., Zheng Z., Judson R.S. (2020). CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity, Environmental Health Perspectives, 128 (2), 027002-1 - 027002-17. DOI: 10.1289/EHP5580.

Amiranashvili L., Nadaraia N., Merlani M., Kamoutsis C., Petrou A., Geronikaki A., Pogodin P.,  Druzhilovskiy D., Poroikov V., Ciric A, Glamočlija J., Sokovic M. Antimicrobial activity of nitrogen-containing 5-alpha-androstane derivatives: in silico and experimental studies. (2020). Antibiotics, 9 (5), 224. DOI: 10.3390/antibiotics9050224

Tarasova O., Biziukova N., Kireev D., Lagunin A., Ivanov S., Filimonov D., Poroikov V. (2020). Computational approach for prediction of treatment history, immunological and virological failure of antiretroviral therapy. International Journal of Molecular Sciences, 21(3), 748. DOI: 10.3390/ijms21030748.

Karasev D.A., Sobolev B.N., Lagunin A.A., Filimonov D.A., Poroikov V.V. (2020). Prediction of protein-ligand interaction based on the positional similarity scores derived from amino acid sequences. International Journal of Molecular Sciences, 21, 24. DOI:10.3390/ijms21010024.

Stolbov L., Druzhilovskiy D., Rudik A., Filimonov D., Poroikov V., Nicklaus M. (2020). AntiHIV-Pred: Web-resource for in silico prediction of anti-HIV/AIDS activity. Bioinformatics,  36 (3), 978–979. DOI: 10.1093/bioinformatics/btz638

Поройков В.В. Прогнозирование свойств фармакологических веществ in silico. В кн.: Промышленная фармация. Путь создания продукта / Под ред. А.Л. Хохлова и Н.В. Пятигорской. – М.: Из-во РАН, 2019, с.44-86.

Зефирова О.Н., Балакин К.В., Красавин М.Ю., Палюлин В.А., Поройков В.В., Радченко Е.В., Салахутдинов Н.Ф., Спасов А.А., Фисенко В.П., Бачурин С.О. Глоссарий русскоязычных терминов в медицинской химии. Известия Академии наук. Серия химическая, 2019, № 12, 2381-2395.

Поройков В.В., Филимонов Д.А., Глориозова Т.А., Лагунин А.А., Дружиловский Д.С., Рудик А.В., Столбов Л.А., Дмитриев А.В., Тарасова О.А., Иванов С.М., Погодин П.В. Компьютерный прогноз спектров биологической активности органических соединений: возможности и ограничения. Известия Академии наук. Серия химическая, 2019, № 12, 2143-2154.

Pogodin P.V., Lagunin A.A., Rudik A.V., Druzhilovskiy D.S., Filimonov D.A., Poroikov V.V. (2019). AntiBac-Pred: A web portal for predicting antibacterial activity of chemical compounds. Journal of Chemical Information and Modeling, 59 (11), 4513-4518. DOI: 10.1021/acs.jcim.9b00436

Pogodin P.V., Lagunin A.A., Filimonov D.A., Nicklaus M.C., Poroikov V.V. (2019). Improving (Q)SAR predictions by examining bias in the selection of compounds for experimental testing. SAR and QSAR in Environmental Research, 30 (10), 759-773. DOI: 10.1080/1062936X.2019.1665580

Dmitriev A., Filimonov D., Lagunin A., Karasev D., Pogodin P., Rudik A., Poroikov V. (2019). Prediction of severity of drug-drug interactions caused by enzyme inhibition and activation. Molecules, 24, 3955 DOI: 10.3390/molecules24213955

Tarasova O.A., Biziukova N.Yu., Filimonov D.A., Poroikov V.V., Nicklaus M.C. (2019). Data mining approach for extraction of useful information about biologically active compounds from publications. Journal of Chemical Information and Modeling, 59 (9), 3635-3644. DOI: 10.1021/acs.jcim.9b00164

Rudik A.V., Dmitriev A.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. (2019). PASS-based prediction of metabolites detection in biological systems. SAR and QSAR in Environmental Research, 30 (10), 751-758 DOI: 10.1080/1062936X.2019.1665099.

Dmitriev A.V., Filimonov D.A., Rudik A.V., Pogodin P.V., Karasev D.A., Lagunin A.A., Poroikov V.V. (2019) Drug-drug interaction prediction using PASS. SAR and QSAR in Environmental Research, 30 (9), 655–664. DOI: 10.1080/1062936X.2019.1653966

Ivanov S., Lagunin A., Filimonov D., Poroikov V. (2019). Assessment of the cardiovascular adverse effects of drug-drug interactions through a combined analysis of spontaneous reports and predicted drug-target interactions. PLoS Comput. Biol., 15 (7), e1006851. doi: http://dx.doi.org/ 10.1371/journal.pcbi.1006851

Савосина П.И., Столбов Л.А., Дружиловский Д.С., Филимонов Д.А., Никлаус M., Поройков В.В. (2019). Поиск новых антиретровирусных соединений в химическом пространстве “больших данных” библиотеки SAVI. Биомедицинская химия, 65 (2), 73-79.  DOI: 10.18097/PBMC20196502073

Рудик А.В., Дмитриев А.В., Лагунин А.А., Иванов C.М., Филимонов Д.А., Поройков В.В. (2019). Компьютерная оценка токсичности ксенобиотиков с учётом их метаболизма в организме человека. Биомедицинская химия, 65 (2), 114-122. / Rudik A.V., Dmitriev A.V., Lagunin A.A., Ivanov S.M., Filimonov D.A, Poroikov V.V. (2019). Computer-aided xenobiotic toxicity prediction taking into account their metabolism in the human body. Biochemistry (Moscow), Supplement Series B: Biomedical Chemistry, 13 (3), 228-236. DOI: 10.1134/S1990750819030065

Nadaraia N.S., Amiranashvili L.S., Merlani M., Kakhabrishvili M.L., Barbakadze N.N., Geronikaki A., Petrou A., Poroikov V., Ciric A., Glamoclija J., Sokovic M. (2019). Novel antimicrobial agents’ discovery among the steroid derivatives, Steroids, 144 (2019), 52-65. doi: https://doi.org/10.1016/j.steroids.2019.02.012

Popugaeva E., Chernyuk D., Zhang H., Postnikova T.Y., Pats K., Fedorova E., Poroikov V., Zaitsev A.V., Bezprozvanny I. (2019). Derivatives of piperazines as potential therapeutic agents for Alzheimer’s disease. Molecular Pharmacology, 95 (4), 337-348. DOI: 10.1124/mol.118.114348

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