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Unravelling Rational Design of Molecularly Imprinted Polymer for Selective Mitragynine Isolation from Kratom: Quantum Mechanical, Molecular Dynamics, and Experimental Insights.

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Title: Unravelling Rational Design of Molecularly Imprinted Polymer for Selective Mitragynine Isolation from Kratom: Quantum Mechanical, Molecular Dynamics, and Experimental Insights.
Authors: Gunawan U; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; Research Center for Cheminformatics and Molecular Modeling, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia., Prasetyanto EA; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; The Indonesian Center for Drugs Research (ICDR), Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia., Kambira PFA; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; Research Center for Cheminformatics and Molecular Modeling, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia., Notario D; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; The Indonesian Center for Drugs Research (ICDR), Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia., Wulandari E; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; The Indonesian Center for Drugs Research (ICDR), Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia., Istyastono EP; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; The Indonesian Center for Drugs Research (ICDR), Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia., Wening AT; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia., Irlianto K; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia., Ivansyah AL; Inorganic and Physical Chemistry Division, Department of Chemistry, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Bandung 40132, Indonesia.; Master Program in Computational Science, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Bandung 40132, Indonesia.
Source: Molecules (Basel, Switzerland) [Molecules] 2026 Feb 10; Vol. 31 (4). Date of Electronic Publication: 2026 Feb 10.
Publication Type: Journal Article
Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Unravelling Rational Design of Molecularly Imprinted Polymer for Selective Mitragynine Isolation from Kratom: Quantum Mechanical, Molecular Dynamics, and Experimental Insights.
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  Data: <searchLink fieldCode="AU" term="%22Gunawan+U%22">Gunawan U</searchLink>; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; Research Center for Cheminformatics and Molecular Modeling, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.<br /><searchLink fieldCode="AU" term="%22Prasetyanto+EA%22">Prasetyanto EA</searchLink>; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; The Indonesian Center for Drugs Research (ICDR), Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.<br /><searchLink fieldCode="AU" term="%22Kambira+PFA%22">Kambira PFA</searchLink>; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; Research Center for Cheminformatics and Molecular Modeling, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.<br /><searchLink fieldCode="AU" term="%22Notario+D%22">Notario D</searchLink>; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; The Indonesian Center for Drugs Research (ICDR), Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.<br /><searchLink fieldCode="AU" term="%22Wulandari+E%22">Wulandari E</searchLink>; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; The Indonesian Center for Drugs Research (ICDR), Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.<br /><searchLink fieldCode="AU" term="%22Istyastono+EP%22">Istyastono EP</searchLink>; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.; The Indonesian Center for Drugs Research (ICDR), Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.<br /><searchLink fieldCode="AU" term="%22Wening+AT%22">Wening AT</searchLink>; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.<br /><searchLink fieldCode="AU" term="%22Irlianto+K%22">Irlianto K</searchLink>; Department of Pharmacy, School of Medicine and Health Sciences, Atma Jaya Catholic University of Indonesia, Jakarta 14440, Indonesia.<br /><searchLink fieldCode="AU" term="%22Ivansyah+AL%22">Ivansyah AL</searchLink>; Inorganic and Physical Chemistry Division, Department of Chemistry, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Bandung 40132, Indonesia.; Master Program in Computational Science, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Bandung 40132, Indonesia.
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  Data: <searchLink fieldCode="JN" term="%22100964009%22">Molecules (Basel, Switzerland)</searchLink> [Molecules] 2026 Feb 10; Vol. 31 (4). <i>Date of Electronic Publication: </i>2026 Feb 10.
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              Text: 2026 Feb 10
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