Search Results - "Filimonov, D.A."

Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource by Filimonov, D. A., Lagunin, A. A., Gloriozova, T. A., Rudik, A. V., Druzhilovskii, D. S., Pogodin, P. V., Poroikov, V. V.

“…The freely accessible web resource PASS Online is presented. This resource is designed for the prediction of the biological activity spectra of organic…”
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SAR based on self consistent classifier by Stolbov, L.A., Filimonov, D.A., Poroikov, V.V.

“…The accuracy and performance of (Q)SAR models depend significantly on the data used for training. Datasets prepared on the basis of publicly available…”
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BC CLC-Pred: a freely available web-application for quantitative and qualitative predictions of substance cytotoxicity in relation to human breast cancer cell lines by Lagunin, A.A., Sezganova, A.S., Muraviova, E.S., Rudik, A.V., Filimonov, D.A.

“…In silico prediction of cell line cytotoxicity considerably decreases time and financial costs during drug development of new antineoplastic agents. (Q)SAR…”
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Ligand-based virtual screening and biological evaluation of inhibitors of Mycobacterium tuberculosis H37Rv by Pogodin, P.V., Salina, E.G., Semenov, V.V., Raihstat, M.M., Druzhilovskiy, D.S., Filimonov, D.A., Poroikov, V.V.

“…Novel antimycobacterial compounds are needed to expand the existing toolbox of therapeutic agents, which sometimes fail to be effective. In our study we…”
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PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach by Pogodin, P.V., Lagunin, A.A., Filimonov, D.A., Poroikov, V.V.

“…Estimation of interactions between drug-like compounds and drug targets is very important for drug discovery and toxicity assessment. Using data extracted from…”
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MDM-Pred: a freely available web application for predicting the metabolism of drug-like compounds by the gut microbiota by Kolodnitsky, A.S., Ionov, N.S., Rudik, A.V., Lagunin, A.A., Filimonov, D.A., Poroikov, V.V.

“…The human gut microbiota (HGM) comprises a complex population of microorganisms that significantly affect human health, including their influence on…”
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Drug-drug interaction prediction using PASS by Dmitriev, A.V., Filimonov, D.A., Rudik, A.V., Pogodin, P.V., Karasev, D.A., Lagunin, A.A., Poroikov, V.V.

“…Simultaneous use of the drugs may lead to undesirable Drug-Drug Interactions (DDIs) in the human body. Many DDIs are associated with changes in drug metabolism…”
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PASS-based prediction of metabolites detection in biological systems by Rudik, A.V., Dmitriev, A.V., Lagunin, A.A., Filimonov, D.A., Poroikov, V.V.

“…Metabolite identification is an essential part of the drug discovery and development process. Experimental methods allow identifying metabolites and estimating…”
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Improving (Q)SAR predictions by examining bias in the selection of compounds for experimental testing by Pogodin, P.V., Lagunin, A.A., Filimonov, D.A., Nicklaus, M.C., Poroikov, V.V.

“…Existing data on structures and biological activities are limited and distributed unevenly across distinct molecular targets and chemical compounds. The…”
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QNA-based 'Star Track' QSAR approach by Filimonov, D.A., Zakharov, A.V., Lagunin, A.A., Poroikov, V.V.

“…In the existing quantitative structure-activity relationship (QSAR) methods any molecule is represented as a single point in a many-dimensional space of…”
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Discovering new antiretroviral compounds in "Big Data" chemical space of the SAVI library by Savosina, P I, Stolbov, L A, Druzhilovskiy, D S, Filimonov, D A, Nicklaus, M C, Poroikov, V V

“…Despite significant advances in the application of highly active antiretroviral therapy, the development of new drugs for the treatment of HIV infection…”
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Xenobiotic toxicity prediction combined with xenobiotic metabolism prediction in the human body by Rudik, A V, Dmitriev, A V, Lagunin, A A, Ivanov, S M, Filimonov, D A, Poroikov, V V

“…The majority of xenobiotics undergo a number of chemical reactions known as biotransformation in human body. The biological activity, toxicity, and other…”
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Migraine with Ischemic Stroke in a Young Male with Hyperhomocysteinemia and Connective Tissue Dysplasia by S.K. Yevtushenko, M.A. Moskalenko, D.A. Filimonov, A.S. Moskalenko

“…Case report of migraine with ischemic stroke on the background of hyperhomocysteinemia in a young male with connective tissue dysplasia is given in the…”
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Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional Indian ayurvedic medicine by Lagunin, A A, Druzhilovsky, D S, Rudik, A V, Filimonov, D A, Gawande, D, Suresh, K, Goel, R, Poroikov, V V

“…Applicability of our computer programs PASS and PharmaExpert to prediction of biological activity spectra of rather complex and structurally diverse…”
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Virtual Screening for Potential Substances for the Prophylaxis of HIV Infection in Libraries of Commercially Available Organic Compounds by Lagunin, A. A., Filimonov, D. A., Gloriozova, T. A., Tarasova, O. A., Zakharov, A. V., Guasch, L., Nicklaus, M. C., Poroikov, V. V.

“…The search for new substances for the treatment and prophylaxis of HIV-AIDS remains relevant despite advances in highly active antiretroviral therapy (HAART),…”
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Computer search for molecular mechanisms of ulcerogenic action of nonsteroidal antiinflammatory drugs by Ivanov, S M, Lagunin, A A, Zakharov, A V, Filimonov, D A, Poroĭkov, V V

“…"Peptic ulcers" is the most frequent side effect of non-steroidal anti-inflammatory drugs (NSAIDs). Experimental data indicate that pathogenesis of peptic…”
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In Silico fragment-based drug design using a PASS approach by Filz, O.A., Lagunin, A.A., Filimonov, D.A., Poroikov, V.V.

“…Fragment-based drug design integrates different methods to create novel ligands using fragment libraries focused on particular biological activities…”
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Nootropic action of some antihypertensive drugs: computer predicting and experimental testing by Kryzhanovskii, S. A., Salimov, R. M., Lagunin, A. A., Filimonov, D. A., Gloriozova, T. A., Poroikov, V. V.

“…Several antihypertensive drugs belonging to the group of ACE inhibitors have been selected for testing their nootropic activity based on a computer-aided…”
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Мигрень с ишемическим инсультом у юноши с гипергомоцистеинемией и соединительнотканной дисплазией by Yevtushenko, S.K., Moskalenko, M.A., Filimonov, D.A., Moskalenko, A.S.

“…В статье приведен случай мигрени с ишемическим инсультом на фоне гипергомоцистеинемии у юноши с соединительнотканной дисплазией. Описана клиническая картина,…”
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In silico method for identification of promising anticancer drug targets by Koborova, O.N., Filimonov, D.A., Zakharov, A.V., Lagunin, A.A., Ivanov, S.M., Kel, A., Poroikov, V.V.

“…In recent years, the accumulation of the genomics, proteomics, transcriptomics data for topological and functional organization of regulatory networks in a…”
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