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SAR and QSAR in Environmental Research Volume 30, 2019 - Issue 9: Special Issue: 10th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI 2019). Part 1. Guest Editors: J. Devillers and A. Geronikaki
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Articles

Drug-drug interaction prediction using PASS

A.V. DmitrievDepartment for Bioinformatics, Institute of Biomedical Chemistry (IBMC), Moscow, RussiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-2431-3429View further author information
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D.A. FilimonovDepartment for Bioinformatics, Institute of Biomedical Chemistry (IBMC), Moscow, RussiaORCID Iconhttps://orcid.org/0000-0002-2984-7243View further author information
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A.V. RudikDepartment for Bioinformatics, Institute of Biomedical Chemistry (IBMC), Moscow, RussiaORCID Iconhttps://orcid.org/0000-0002-8916-9675View further author information
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P.V. PogodinDepartment for Bioinformatics, Institute of Biomedical Chemistry (IBMC), Moscow, RussiaView further author information
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D.A. KarasevDepartment for Bioinformatics, Institute of Biomedical Chemistry (IBMC), Moscow, RussiaORCID Iconhttps://orcid.org/0000-0001-5070-8312View further author information
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A.A. LaguninDepartment for Bioinformatics, Institute of Biomedical Chemistry (IBMC), Moscow, Russia;Medico-biological Faculty, Pirogov Russian National Research Medical University, Moscow, RussiaView further author information
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V.V. PoroikovDepartment for Bioinformatics, Institute of Biomedical Chemistry (IBMC), Moscow, RussiaORCID Iconhttps://orcid.org/0000-0001-7937-2621View further author information
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Pages 655-664 | Received 17 Jul 2019, Accepted 06 Aug 2019, Published online: 04 Sep 2019

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A.S. Kolodnitsky, N.S. Ionov, A.V. Rudik, A.A. Lagunin, D.A. Filimonov & V.V. Poroikov. (2023) MDM-Pred: a freely available web application for predicting the metabolism of drug-like compounds by the gut microbiota. SAR and QSAR in Environmental Research 34:5, pages 383-393.
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Articles from other publishers (12)

Tooba Abdizadeh. (2023) Identification of novel potential inhibitors of monkeypox virus thymidine kinase using molecular docking, molecular dynamics simulation and MM/PBSA methods. Molecular Diversity.
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Anshika Gupta, Shweta Singh Chauhan, Anamika Singh Gaur & Ramakrishnan Parthasarathi. (2022) Computational screening for investigating the synergistic regulatory potential of drugs and phytochemicals in combination with 2-deoxy-D-glucose against SARS-CoV-2. Structural Chemistry 33:6, pages 2179-2193.
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Victoria V. Shumyantseva, Polina I. Koroleva, Tatiana V. Bulko, Gennady V. Sergeev & Sergei A. Usanov. (2022) Predicting drug–drug interactions by electrochemically driven cytochrome P450 3A4 reactions. Drug Metabolism and Personalized Therapy 37:3, pages 241-248.
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Zhiguo Wang & Baofeng YangZhiguo Wang & Baofeng Yang. 2022. Polypharmacology. Polypharmacology 647 659 .
Gang Li, Bowen Yi, Jingtong Liu, Xiaoquan Jiang, Fulu Pan, Wenning Yang, Haibo Liu, Yang Liu & Guopeng Wang. (2021) Effect of CYP3A4 Inhibitors and Inducers on Pharmacokinetics and Pharmacodynamics of Saxagliptin and Active Metabolite M2 in Humans Using Physiological-Based Pharmacokinetic Combined DPP-4 Occupancy. Frontiers in Pharmacology 12.
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Matheus Nunes da Rocha, Daniela Ribeiro Alves, Marcia Machado Marinho, Selene Maia de Morais & Emmanuel Silva Marinho. (2021) Virtual Screening of Citrus Flavonoid Tangeretin: A Promising Pharmacological Tool for the Treatment and Prevention of Zika fever and COVID-19. Journal of Computational Biophysics and Chemistry 20:03, pages 283-304.
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Alexander V. Dmitriev, Anastassia V. Rudik, Dmitry A. Karasev, Pavel V. Pogodin, Alexey A. Lagunin, Dmitry A. Filimonov & Vladimir V. Poroikov. (2021) In Silico Prediction of Drug–Drug Interactions Mediated by Cytochrome P450 Isoforms. Pharmaceutics 13:4, pages 538.
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P. I. Koroleva, A. V. Kuzikov, R. A. Masamrekh, D. A. Filimonov, A. V. Dmitriev, M. G. Zaviyalova, S. M. Rikova, E. V. Shich, A. A. Makhova, T. V. Bulko, A. A. Gilep & V. V. Shumyantseva. (2021) Modeling of Drug-Drug Interactions between Omeprazole and Erythromycin in the Cytochrome P450-Dependent System In vitro. Biochemistry (Moscow), Supplement Series B: Biomedical Chemistry 15:1, pages 62-70.
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Liyun Zhang, Xiaoqing Xu, Sara Badawy, Awais Ihsan, Zhenli Liu, Changqing Xie, Xu Wang & Yanfei Tao. (2020) A Review: Effects of Macrolides on CYP450 Enzymes. Current Drug Metabolism 21:12, pages 928-937.
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P.I. Koroleva, A.V. Kuzikov, R.A. Masamrekh, D.A. Filimonov, A.V. Dmitriev, M.G. Zaviyalova, S.M. Rikova, E.V. Shich, A.A. Makhova, T.V. Bulko, A.A. Gilep & V.V. Shumyantseva. (2020) Modeling of drug-drug interactions between omeprazole and erythromycin with cytochrome P450 3A4 in vitro assay. Biomeditsinskaya Khimiya 66:3, pages 241-249.
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V. V. Poroikov, D. A. Filimonov, T. A. Gloriozova, A. A. Lagunin, D. S. Druzhilovskiy, A. V. Rudik, L. A. Stolbov, A. V. Dmitriev, O. A. Tarasova, S. M. Ivanov & P. V. Pogodin. (2020) Computer-aided prediction of biological activity spectra for organic compounds: the possibilities and limitations. Russian Chemical Bulletin 68:12, pages 2143-2154.
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Dmitriev, Filimonov, Lagunin, Karasev, Pogodin, Rudik & Poroikov. (2019) Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation. Molecules 24:21, pages 3955.
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