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It was shown that in the presence of omeprazole the rate of N-demethylase activity of CYP3A4  to erythromycin measured by means of product (formaldehyde) formation decreased. Mass-spectrometry analysis  of omeprazole sulfone as a CYP3A4-mediated metabolite demonstrated the absence of erythromycin influence  on CYP3A4-dependent omeprazole metabolism. This phenomenon may be explained by lower spectral dissociation  constant of CYP3A4-omeprazole complex (Kd = 18\u00b12 \u03bcM) than that of CYP3A4-erythromycin complex (Kd = 52 \u03bcM).  Using the electrochemical model of electrochemically-driven drug metabolism it is possible to register  CYP3A4-mediated catalytic conversion of certain drugs. In vitro experiments of potential CYP3A4-mediated  drug-drug interactions are in accordance with in silico modeling with program PASS and PoSMNA descriptors  in the case of omeprazole\/erythromycin combinations.<\/jats:p>","DOI":"10.18097\/pbmc20206603241","type":"journal-article","created":{"date-parts":[[2020,6,26]],"date-time":"2020-06-26T12:03:15Z","timestamp":1593172995000},"page":"241-249","source":"Crossref","is-referenced-by-count":5,"title":["Modeling of drug-drug interactions between omeprazole and erythromycin with cytochrome P450 3A4 in vitro assay"],"prefix":"10.18097","volume":"66","author":[{"given":"P.I.","family":"Koroleva","sequence":"first","affiliation":[{"name":"Institute of Biomedical Chemistry, Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A.V.","family":"Kuzikov","sequence":"additional","affiliation":[{"name":"Institute of Biomedical Chemistry, Moscow, Russia; Pirogov Russian National Research Medical University (RNRMU), Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"R.A.","family":"Masamrekh","sequence":"additional","affiliation":[{"name":"Institute of Biomedical Chemistry, Moscow, Russia; Pirogov Russian National Research Medical University (RNRMU), Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"D.A.","family":"Filimonov","sequence":"additional","affiliation":[{"name":"Institute of Biomedical Chemistry, Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A.V.","family":"Dmitriev","sequence":"additional","affiliation":[{"name":"Institute of Biomedical Chemistry, Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"M.G.","family":"Zaviyalova","sequence":"additional","affiliation":[{"name":"Institute of Biomedical Chemistry, Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S.M.","family":"Rikova","sequence":"additional","affiliation":[{"name":"Sechenov First Moscow Medical State University (Sechenov University), Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"E.V.","family":"Shich","sequence":"additional","affiliation":[{"name":"Sechenov First Moscow Medical State University (Sechenov University), Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A.A.","family":"Makhova","sequence":"additional","affiliation":[{"name":"Sechenov First Moscow Medical State University (Sechenov University), Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"T.V.","family":"Bulko","sequence":"additional","affiliation":[{"name":"Institute of Biomedical Chemistry, Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A.A.","family":"Gilep","sequence":"additional","affiliation":[{"name":"Institute of Bioorganic Chemistry of the National Academy of Sciences of Belarus, Minsk, Belarus"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"V.V.","family":"Shumyantseva","sequence":"additional","affiliation":[{"name":"Institute of Biomedical Chemistry, Moscow, Russia; Pirogov Russian National Research Medical University (RNRMU), Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"7443","published-online":{"date-parts":[[2020]]},"reference":[{"key":"ref1","doi-asserted-by":"publisher","unstructured":"Ierardi E., Goni E., Losurdo G., Di Mario F. 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