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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="ru"><front><journal-meta><journal-id journal-id-type="publisher-id">scbmt</journal-id><journal-title-group><journal-title xml:lang="ru">БИОМЕДИЦИНА</journal-title><trans-title-group xml:lang="en"><trans-title>Journal Biomed</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">2074-5982</issn><issn pub-type="epub">2713-0428</issn><publisher><publisher-name>Scientific center of biomedical technologies of Federal Medical and Biological Agency</publisher-name></publisher></journal-meta><article-meta><article-id custom-type="elpub" pub-id-type="custom">scbmt-639</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>Статьи</subject></subj-group></article-categories><title-group><article-title>Методы прогнозирования кишечной проницаемости
лекарственных веществ с применением
компьютерного моделирования</article-title><trans-title-group xml:lang="en"><trans-title></trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Шохин</surname><given-names>И. Е.</given-names></name></name-alternatives><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Раменская</surname><given-names>Г. В.</given-names></name></name-alternatives><email xlink:type="simple">ramenskaia@mail.ru</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff xml:lang="ru" id="aff-1"><institution>Первый московский государственный медицинский университет им. И.М.Сеченова,
Москва</institution><country>Russian Federation</country></aff><pub-date pub-type="collection"><year>2011</year></pub-date><pub-date pub-type="epub"><day>13</day><month>02</month><year>2020</year></pub-date><volume>1</volume><issue>2</issue><fpage>35</fpage><lpage>40</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Шохин И.Е., Раменская Г.В., 2020</copyright-statement><copyright-year>2020</copyright-year><copyright-holder xml:lang="ru">Шохин И.Е., Раменская Г.В.</copyright-holder><copyright-holder xml:lang="en">Шохин И.Е., Раменская Г.В.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://journal.scbmt.ru/jour/article/view/639">https://journal.scbmt.ru/jour/article/view/639</self-uri><abstract><p>Статья посвящена основным подходам, применяемым для оценки кишечной проницаемости лекар-
ственных веществ с использованием компьютерного моделирования (методов in silico). Приведена вза-
имосвязь некоторых физико-химических параметров субстанций (log P, C log P, log D) и коэффициен-
та кишечной проницаемости, а также достоверность данной корреляции. Описаны основные компью-
терные программы, применяемые для прогнозирования проницаемости, и модели, лежащие в основе их
функционирования.</p></abstract><kwd-group xml:lang="ru"><kwd>абсорбция</kwd><kwd>проницаемость</kwd><kwd>коэффициент распределения</kwd><kwd>методы in silico</kwd></kwd-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Amidon G.L., Lennerlas H., Shah V.P., Crison J.R. A theoretical basis for a biopharmaceutic drug classification: The correlation of in vitro drug product dissolution and in vivo bioavailability // Pharmaceutical Recearch. - 1995. - № 12. - р. 413-420. 2. Guidance for industry: Waiver of in vivo bioavailability and bioequivalence studies for immediate-release solid oral dosage forms based on a Biopharmaceutics Classification System. U.S., Department of Health and Human Services, Food and Drug Administration (HHS-FDA), Center for Drug Evaluation and Research (CDER). - 2000. 3. Proposal to waive in vivo bioequivalence requirements for WHO Model List of Essential Medicines immediate-release, solid oral dosage forms. Technical Report Series, No 937, 40th Report, Annex 8 of WHO Expert Committee on Specifications for Pharmaceutical Preparations. World Health Organization (WHO). - 2006. 4. Guidance on the Investigation of Bioequivalence. European Medicines Agency (EMA). Committee for Medicinal Products of Human Use (CHMP). - 2010.</mixed-citation><mixed-citation xml:lang="en">Amidon G.L., Lennerlas H., Shah V.P., Crison J.R. A theoretical basis for a biopharmaceutic drug classification: The correlation of in vitro drug product dissolution and in vivo bioavailability // Pharmaceutical Recearch. - 1995. - № 12. - р. 413-420. 2. Guidance for industry: Waiver of in vivo bioavailability and bioequivalence studies for immediate-release solid oral dosage forms based on a Biopharmaceutics Classification System. U.S., Department of Health and Human Services, Food and Drug Administration (HHS-FDA), Center for Drug Evaluation and Research (CDER). - 2000. 3. Proposal to waive in vivo bioequivalence requirements for WHO Model List of Essential Medicines immediate-release, solid oral dosage forms. Technical Report Series, No 937, 40th Report, Annex 8 of WHO Expert Committee on Specifications for Pharmaceutical Preparations. World Health Organization (WHO). - 2006. 4. Guidance on the Investigation of Bioequivalence. European Medicines Agency (EMA). Committee for Medicinal Products of Human Use (CHMP). - 2010.</mixed-citation></citation-alternatives></ref><ref id="cit2"><label>2</label><citation-alternatives><mixed-citation xml:lang="ru">Kasim N.A., Whitehouse M., RamachandranC.,BermejoM., Lennernäs H., Hussain A.S., JungingerH.E., Stavchansky S.A., Midha K.K., Shah V.P., Amidon G.L. Molecular properties of WHO essential drugs and provisional biopharmaceuticalclassification// Molecular Pharmaceutics. - 2004. - Vol. 1. - № 1. - р. 85-96.</mixed-citation><mixed-citation xml:lang="en">Kasim N.A., Whitehouse M., RamachandranC.,BermejoM., Lennernäs H., Hussain A.S., JungingerH.E., Stavchansky S.A., Midha K.K., Shah V.P., Amidon G.L. Molecular properties of WHO essential drugs and provisional biopharmaceuticalclassification// Molecular Pharmaceutics. - 2004. - Vol. 1. - № 1. - р. 85-96.</mixed-citation></citation-alternatives></ref><ref id="cit3"><label>3</label><citation-alternatives><mixed-citation xml:lang="ru">Kim J.-S., Mitchell S., Kijek P., Tsume Y., Hilfinger J., Amidon G.L. The suitability of an in situ perfusion model for permeability determinations: utility for BCS Class I biowaiver requests // Molecular Pharmaceutics. - 2006. - Vol. 3. - № 6. - р. 686-694.</mixed-citation><mixed-citation xml:lang="en">Kim J.-S., Mitchell S., Kijek P., Tsume Y., Hilfinger J., Amidon G.L. The suitability of an in situ perfusion model for permeability determinations: utility for BCS Class I biowaiver requests // Molecular Pharmaceutics. - 2006. - Vol. 3. - № 6. - р. 686-694.</mixed-citation></citation-alternatives></ref><ref id="cit4"><label>4</label><citation-alternatives><mixed-citation xml:lang="ru">Yee S. In vitro permeability across Caco-2 cells (colonic) can predict in vivo (small intestinal) absorption in man - Fact or myth // Pharmaceutical Research. - 1997. - Vol. 14. - № 6. - р. 763-766.</mixed-citation><mixed-citation xml:lang="en">Yee S. In vitro permeability across Caco-2 cells (colonic) can predict in vivo (small intestinal) absorption in man - Fact or myth // Pharmaceutical Research. - 1997. - Vol. 14. - № 6. - р. 763-766.</mixed-citation></citation-alternatives></ref><ref id="cit5"><label>5</label><citation-alternatives><mixed-citation xml:lang="ru">Dahan A., Miller J.M., Amidon G.L. Prediction of Solubility and Permeability Class Membership: Provisional BCS Classification of the World's Top Oral Drugs // AAPS J. - 2009. - Vol. 11. - № 6. - р. 740-746.</mixed-citation><mixed-citation xml:lang="en">Dahan A., Miller J.M., Amidon G.L. Prediction of Solubility and Permeability Class Membership: Provisional BCS Classification of the World's Top Oral Drugs // AAPS J. - 2009. - Vol. 11. - № 6. - р. 740-746.</mixed-citation></citation-alternatives></ref><ref id="cit6"><label>6</label><citation-alternatives><mixed-citation xml:lang="ru">Takagi T., Ramachandran C., Bermejo M., Yamashita S., Yu L.X., Amidon G.L.Provisionalbiopharmaceutical classification of the top 200 oral drug products in the United States, Great Britain, Spain, and Japan // Molecular Pharmaceutics. - 2006. - Vol. 3. - № 6. - р. 631-643.</mixed-citation><mixed-citation xml:lang="en">Takagi T., Ramachandran C., Bermejo M., Yamashita S., Yu L.X., Amidon G.L.Provisionalbiopharmaceutical classification of the top 200 oral drug products in the United States, Great Britain, Spain, and Japan // Molecular Pharmaceutics. - 2006. - Vol. 3. - № 6. - р. 631-643.</mixed-citation></citation-alternatives></ref><ref id="cit7"><label>7</label><citation-alternatives><mixed-citation xml:lang="ru">Головенко Н.Я., Борисюк Ю.И. Биофармацевтическая классификацион- ная система - экспериментальная мо- дель прогнозирования биодоступности лекарственных средств // Биомедицин- ская химия. - 2008. - Т. 54. - №. 4. - с. 392-407.</mixed-citation><mixed-citation xml:lang="en">Головенко Н.Я., Борисюк Ю.И. Биофармацевтическая классификацион- ная система - экспериментальная мо- дель прогнозирования биодоступности лекарственных средств // Биомедицин- ская химия. - 2008. - Т. 54. - №. 4. - с. 392-407.</mixed-citation></citation-alternatives></ref><ref id="cit8"><label>8</label><citation-alternatives><mixed-citation xml:lang="ru">Hansch C., Leo A., Mekapatia S.B., Kurup A. QSAR and ADME // Bioorganic &amp; Medicinal Chemistry. -2004. - № 12. - р. 3391-3400.</mixed-citation><mixed-citation xml:lang="en">Hansch C., Leo A., Mekapatia S.B., Kurup A. QSAR and ADME // Bioorganic &amp; Medicinal Chemistry. -2004. - № 12. - р. 3391-3400.</mixed-citation></citation-alternatives></ref><ref id="cit9"><label>9</label><citation-alternatives><mixed-citation xml:lang="ru">Кубиньи Г. В поисках новых соединений-лидеров для создания ле- карств // Российский Химический Жур- нал. - 2006. - Т. 50. - № 2. - с. 5-17.</mixed-citation><mixed-citation xml:lang="en">Кубиньи Г. В поисках новых соединений-лидеров для создания ле- карств // Российский Химический Жур- нал. - 2006. - Т. 50. - № 2. - с. 5-17.</mixed-citation></citation-alternatives></ref><ref id="cit10"><label>10</label><citation-alternatives><mixed-citation xml:lang="ru">http://www.biobyte.com/index.html. Проверено 22.03.2011.</mixed-citation><mixed-citation xml:lang="en">http://www.biobyte.com/index.html. Проверено 22.03.2011.</mixed-citation></citation-alternatives></ref><ref id="cit11"><label>11</label><citation-alternatives><mixed-citation xml:lang="ru">Benet L., Amidon G.L., Barends D., Lennernäs H., Polli J.E., Shah V.P., Stavchansky S., Yu L. X. Application of BDDCS to Predict Drug Disposition // Pharmaceutical Research. - 2008. - Vol. 52. - № 3. - р. 483-488.</mixed-citation><mixed-citation xml:lang="en">Benet L., Amidon G.L., Barends D., Lennernäs H., Polli J.E., Shah V.P., Stavchansky S., Yu L. X. Application of BDDCS to Predict Drug Disposition // Pharmaceutical Research. - 2008. - Vol. 52. - № 3. - р. 483-488.</mixed-citation></citation-alternatives></ref><ref id="cit12"><label>12</label><citation-alternatives><mixed-citation xml:lang="ru">Boobisa A., Gundert-Remyb U., Kremersc P., Macherasd P., Pelkonen O. In silico prediction of ADME and pharmacokinetics. Report of an expert meeting organised by COST B15 // European Journal of Pharmaceutical Sciences. - 2002. - Vol. 17. - р. 183-193.</mixed-citation><mixed-citation xml:lang="en">Boobisa A., Gundert-Remyb U., Kremersc P., Macherasd P., Pelkonen O. In silico prediction of ADME and pharmacokinetics. Report of an expert meeting organised by COST B15 // European Journal of Pharmaceutical Sciences. - 2002. - Vol. 17. - р. 183-193.</mixed-citation></citation-alternatives></ref><ref id="cit13"><label>13</label><citation-alternatives><mixed-citation xml:lang="ru">Johansson R., Paterson R. Physiologically based in silico models for the prediction of oral drug absorption. In: Drug absorption studies. In situ, in vitro and in silico models. AAPS Press, NY, USA. - 2008. - P. 486-510.</mixed-citation><mixed-citation xml:lang="en">Johansson R., Paterson R. Physiologically based in silico models for the prediction of oral drug absorption. In: Drug absorption studies. In situ, in vitro and in silico models. AAPS Press, NY, USA. - 2008. - P. 486-510.</mixed-citation></citation-alternatives></ref><ref id="cit14"><label>14</label><citation-alternatives><mixed-citation xml:lang="ru">http://www.simulations-plus.com/ Products.aspx?grpID=3&amp;cID=16&amp;pID=11. Проверено 22.03.2011.</mixed-citation><mixed-citation xml:lang="en">http://www.simulations-plus.com/ Products.aspx?grpID=3&amp;cID=16&amp;pID=11. Проверено 22.03.2011.</mixed-citation></citation-alternatives></ref></ref-list><fn-group><fn fn-type="conflict"><p>The authors declare that there are no conflicts of interest present.</p></fn></fn-group></back></article>
