В.В. Поройков

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

Стасевич М.В., Зварич В.И., Новиков В.П., Загородняя С.Д., Повница О.Ю., Чайка М.А., Нестеркина М.В., Кравченко И.А., Дружиловский Д.С., Поройков В.В. (2019). Дитиокарбаматы 9,10-антахинона как перспективные фармацевтические вещества с плейотропным действием: компьютерный прогноз биологической активности и экспериментальная валидация. Химико-фармацевтический журнал, 53 (10), 25-33. DOI: 10.30906/0023-1134-2019-53-10-25-33.

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

Rudik A., Bezhentsev V., Dmitriev A., Lagunin A., Filimonov D., Poroikov V. (2019). MetaTox - Web application for generation of metabolic pathways and toxicity estimation. Journal of Bioinformatics and Computatonal Biology, 17 (1), 1940001. DOI: 10.1142/S0219720019400018

Tarasova O., Biziukova N., Filimonov D, Poroikov V. (2018). A computational approach for the prediction of HIV resistance based on amino acid and nucleotide descriptors. Molecules, 2018, 23 (11), 2751. DOI: 10.3390/molecules23112751

Lagunin A.A., Romanova M.A., Zadorozhny A.D., Kurilenko N.S., Shilov B.V., Pogodin P.V., Ivanov S.M., Filimonov D.A., Poroikov V.V. (2018). Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors. Frontiers in Pharmacology, 9, 1138. DOI: 10.3389/fphar.2018.01136

Sverchinsky D.V., Nikotina A.D., Komarova E.Y., Mikhaylova E.R., Aksenov N.D., Lazarev V.V., Mitkevich V.A., Suezov R., Druzhilovskiy D.S., Poroikov V.V., Margulis B.A., Guzhova I.V. (2018). Etoposide-induced apoptosis in cancer cells can be reinforced by a chemically uncoupled link between Hsp70 and Caspase-3. International Journal of Molecular Sciences, 19 (9), 2519. DOI: 10.3390/ijms19092519

Gaur A.S., Nagamani S., Tanneeru K., Druzhilovskiy D., Rudik A., Poroikov V., Sastry G.N. (2018). Molecular Property Diagnostic Suite for Diabetes Mellitus (MPDSDM): An Integrated Web Portal for Drug Discovery and Drug Repurposing. Journal of Biomedical Informatics, 85, 114-125. DOI: 10.1016/j.jbi.2018.08.003

Pogodin P.V., Lagunin A.A., Rudik A.V., Filimonov D.A., Druzhilovskiy D.S., Nicklaus M.C., Poroikov V.V. (2018). How to achieve better results using PASS-based virtual screening: case study for kinase inhibitors. Frontiers in Chemistry, 6, 133. DOI: 10.3389/fchem.2018.00133

Tarasova O., Poroikov V. (2018). HIV resistance prediction to reverse transcriptase inhibitors: focus on open data. Molecules, 23, 956. DOI:10.3390/molecules23040956

Filimonov D.A., Druzhilovskiy D.S., Lagunin A.A., Gloriozova T.A., Rudik A.V., Dmitriev A.V., Pogodin P.V., Poroikov V.V. (2018). Computer-aided prediction of biological activity spectra for chemical compounds: opportunities and limitations. Biomedical Chemistry: Research and Methods, 1 (1), e00004. DOI: 10.18097/bmcrm00004

Lagunin A., Rudik A., Filimonov D., Druzhilovsky D., Poroikov V. (2018). ROSC-Pred: web-service for rodent organ-specific carcinogenicity prediction. Bioinformatics, 34 (4), 710–712.. DOI: 10.1093/bioinformatics/btx678

Ivanov S.M., Lagunin A.A., Rudik A.V., Filimonov D.A., Poroikov V.V. (2018). ADVERPred – web service for prediction of adverse effects of drugs. Journal of Chemical Information and Modeling, 58 (1), 8-11. DOI: 10.1021/acs.jcim.7b00568