В.В. Поройков

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

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, Advance Article. DOI: 10.1039/d0cs00098a

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.

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.

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., dos Santos V.M., Kel A., Müller W., Pritchard D.M., Probert C., Burkitt M., SysmedIBD Consortium. (2019). Identification of a novel therapeutic agent for Inflammatory Bowel Disease guided by systems medicine. bioRxiv. Posted January 07, 2019. DOI: https://doi.org/10.1101/513838

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

Vil V.A., Terent'ev A.O., Savidov N., Gloriozova T.A., Poroikov V.V., Pounina T.A., Dembitsky V.M.  (2019). Hydroperoxy steroids and triterpenoids derived from plant and fungi: Origin, structures and biological activities. J. Steroid Biochem. Mol. Biol., 190 (2019), 76-87. doi: 10.1016/j.jsbmb.2019.03.020

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., Veselovsky A. (2018). Molecular docking studies of HIV-1 resistance to reverse transcriptase inhibitors: mini-review. Molecules, 23, 1233. DOI: 10.3390/molecules23051233

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

Bezhentsev V., Ivanov S., Kumar S., Goel R., Poroikov V. (2018). Identification of potential drug targets for treatment of refractory epilepsy using network pharmacology. Journal of Bioinformatics and Computational Biology, 16 (1), 1840002. DOI: 10.1142/S0219720018400024

Goel R.K., Gawande D.Y., Lagunin A.A., Poroikov V. (2018). Pharmacological repositioning of Achyranthes aspera as antidepressant using pharmacoinformatic tools PASS and PharmaExpert: A case study with wet lab validation. SAR QSAR Environ. Res., 29 (1), 69-81. DOI: 10.1080/1062936X.2017.1408683

Lagunin A.A., Dubovskaja V.I., Rudik A.V., Pogodin P.V., Druzhilovskiy D.S., Gloriozova T.A., Filimonov D.A., Sastry G.N., Poroikov V.V. (2018). CLC-Pred: a freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds. PLOS One, 13 (1), e0191838. DOI: 10.1371/journal.pone.0191838