Cost-Effective Solvent-Mediated Three-Step Mechanistic Probe of Clopidogrel Bisulfate: Redox Stability, Charge Transfer Reproducibility, and Docking-Guided Yield Enhancement.
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| Title: | Cost-Effective Solvent-Mediated Three-Step Mechanistic Probe of Clopidogrel Bisulfate: Redox Stability, Charge Transfer Reproducibility, and Docking-Guided Yield Enhancement. |
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| Authors: | Samy, Roselin Pavithra Antony1 (AUTHOR), Immanuel, Davis Presley Samuel1 (AUTHOR) davispresleysi@ssn.edu.in, Britto, Sahaya Infant Lasalle2 (AUTHOR), Palanisamy, Ramesh2 (AUTHOR), Rajarethinam, Robert Dominic Reegan2 (AUTHOR) |
| Source: | Journal of Solution Chemistry. Jul2026, Vol. 55 Issue 7, p1568-1592. 25p. |
| Subjects: | Polymorphism (Crystallography), Polymorphic transformations, Clopidogrel, Charge transfer, Oxidation-reduction reaction, Nickel electrodes, Molecular docking, Pharmaceutical chemicals manufacturing |
| Abstract: | Polymorphism plays a critical role in the pharmaceutical industry, influencing drug solubility, stability, and bioavailability. This study focuses on the solvent-mediated transformation of clopidogrel bisulfate from polymorphic form II to the more stable and pharmaceutically preferred form I to enhance its therapeutic efficacy. Comprehensive characterization using XRPD, FT-IR, UV–Vis, confirmed successful conversion and improved crystallinity. Notably, whereas prior electrochemical characterizations of clopidogrel polymorphs employed gold electrodes, this work is the first to utilize nickel‐foam electrodes. The Ni‐foam platform produced even more pronounced voltametric signals comparable in profile but with higher peak currents and lower over potentials than those recorded on gold underscoring its superior sensitivity for assessing polymorph‐specific redox behaviour. Theoretical studies employing DFT at the B3LYP/6–311 + G (d, p) level provided insights into molecular geometry, stability, and reactivity. Thermodynamic and FMO analyses further supported the electronic stability of form I. Hirshfeld surface analysis quantified key intermolecular contacts, revealing prominent hydrogen-bonding and π–π interactions that stabilize the crystal lattice. Molecular docking with the P2Y12 receptor (4NTJ) revealed a strong binding affinity (− 6.9 kJ·mol−1), suggesting effective antiplatelet activity. Furthermore, this work establishes a cost-effective, solvent-mediated three-step strategy for controlling polymorphic transformation. By coupling redox analysis, stability profiling, charge transfer studies, and molecular docking, the approach ensures reproducible yield of the pharmaceutically superior form I. This reproducibility directly enhances the manufacturing reliability, therapeutic consistency, and cost-effectiveness of clopidogrel's formulations. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Solution Chemistry is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 195463756 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Cost-Effective Solvent-Mediated Three-Step Mechanistic Probe of Clopidogrel Bisulfate: Redox Stability, Charge Transfer Reproducibility, and Docking-Guided Yield Enhancement. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Samy%2C+Roselin+Pavithra+Antony%22">Samy, Roselin Pavithra Antony</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Immanuel%2C+Davis+Presley+Samuel%22">Immanuel, Davis Presley Samuel</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> davispresleysi@ssn.edu.in</i><br /><searchLink fieldCode="AR" term="%22Britto%2C+Sahaya+Infant+Lasalle%22">Britto, Sahaya Infant Lasalle</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Palanisamy%2C+Ramesh%22">Palanisamy, Ramesh</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Rajarethinam%2C+Robert+Dominic+Reegan%22">Rajarethinam, Robert Dominic Reegan</searchLink><relatesTo>2</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Solution+Chemistry%22">Journal of Solution Chemistry</searchLink>. Jul2026, Vol. 55 Issue 7, p1568-1592. 25p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Polymorphism+%28Crystallography%29%22">Polymorphism (Crystallography)</searchLink><br /><searchLink fieldCode="DE" term="%22Polymorphic+transformations%22">Polymorphic transformations</searchLink><br /><searchLink fieldCode="DE" term="%22Clopidogrel%22">Clopidogrel</searchLink><br /><searchLink fieldCode="DE" term="%22Charge+transfer%22">Charge transfer</searchLink><br /><searchLink fieldCode="DE" term="%22Oxidation-reduction+reaction%22">Oxidation-reduction reaction</searchLink><br /><searchLink fieldCode="DE" term="%22Nickel+electrodes%22">Nickel electrodes</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+docking%22">Molecular docking</searchLink><br /><searchLink fieldCode="DE" term="%22Pharmaceutical+chemicals+manufacturing%22">Pharmaceutical chemicals manufacturing</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Polymorphism plays a critical role in the pharmaceutical industry, influencing drug solubility, stability, and bioavailability. This study focuses on the solvent-mediated transformation of clopidogrel bisulfate from polymorphic form II to the more stable and pharmaceutically preferred form I to enhance its therapeutic efficacy. Comprehensive characterization using XRPD, FT-IR, UV–Vis, confirmed successful conversion and improved crystallinity. Notably, whereas prior electrochemical characterizations of clopidogrel polymorphs employed gold electrodes, this work is the first to utilize nickel‐foam electrodes. The Ni‐foam platform produced even more pronounced voltametric signals comparable in profile but with higher peak currents and lower over potentials than those recorded on gold underscoring its superior sensitivity for assessing polymorph‐specific redox behaviour. Theoretical studies employing DFT at the B3LYP/6–311 + G (d, p) level provided insights into molecular geometry, stability, and reactivity. Thermodynamic and FMO analyses further supported the electronic stability of form I. Hirshfeld surface analysis quantified key intermolecular contacts, revealing prominent hydrogen-bonding and π–π interactions that stabilize the crystal lattice. Molecular docking with the P2Y12 receptor (4NTJ) revealed a strong binding affinity (− 6.9 kJ·mol−1), suggesting effective antiplatelet activity. Furthermore, this work establishes a cost-effective, solvent-mediated three-step strategy for controlling polymorphic transformation. By coupling redox analysis, stability profiling, charge transfer studies, and molecular docking, the approach ensures reproducible yield of the pharmaceutically superior form I. This reproducibility directly enhances the manufacturing reliability, therapeutic consistency, and cost-effectiveness of clopidogrel's formulations. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Solution Chemistry is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s10953-026-01584-2 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 25 StartPage: 1568 Subjects: – SubjectFull: Polymorphism (Crystallography) Type: general – SubjectFull: Polymorphic transformations Type: general – SubjectFull: Clopidogrel Type: general – SubjectFull: Charge transfer Type: general – SubjectFull: Oxidation-reduction reaction Type: general – SubjectFull: Nickel electrodes Type: general – SubjectFull: Molecular docking Type: general – SubjectFull: Pharmaceutical chemicals manufacturing Type: general Titles: – TitleFull: Cost-Effective Solvent-Mediated Three-Step Mechanistic Probe of Clopidogrel Bisulfate: Redox Stability, Charge Transfer Reproducibility, and Docking-Guided Yield Enhancement. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Samy, Roselin Pavithra Antony – PersonEntity: Name: NameFull: Immanuel, Davis Presley Samuel – PersonEntity: Name: NameFull: Britto, Sahaya Infant Lasalle – PersonEntity: Name: NameFull: Palanisamy, Ramesh – PersonEntity: Name: NameFull: Rajarethinam, Robert Dominic Reegan IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 07 Text: Jul2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 00959782 Numbering: – Type: volume Value: 55 – Type: issue Value: 7 Titles: – TitleFull: Journal of Solution Chemistry Type: main |
| ResultId | 1 |
