Academic Journal
Eco-friendly stability-indicating chromatographic methods with integrated molecular docking and ADMET evaluation for simultaneous determination of carvedilol and ivabradine.
| Τίτλος: | Eco-friendly stability-indicating chromatographic methods with integrated molecular docking and ADMET evaluation for simultaneous determination of carvedilol and ivabradine. |
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| Συγγραφείς: | El Fiky HA; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Future University in Egypt, End of 90th St., Fifth Settlement, New Cairo 11835, Egypt., Abd El Ghany MF; Analytical Chemistry Department, Faculty of Pharmacy, Ain shams University, Abbasiya, Cairo 11566, Egypt., Badawey AM; Analytical Chemistry Department, Faculty of Pharmacy, Cairo University, Kasr El-Aini St, Cairo 11562, Egypt., Fares NV; Analytical Chemistry Department, Faculty of Pharmacy, Ain shams University, Abbasiya, Cairo 11566, Egypt., Ahmed DA; Pharmaceutical Chemistry Department, Faculty of Pharmacy, Future University in Egypt, End of 90th St., Fifth Settlement, New Cairo 11835, Egypt. |
| Πηγή: | Journal of chromatographic science [J Chromatogr Sci] 2026 Aug 31; Vol. 64 (8). |
| Τύπος έκδοσης: | Journal Article |
| Γλώσσα: | English |
| Στοιχεία περιοδικού: | Publisher: Oxford University Press Country of Publication: United States NLM ID: 0173225 Publication Model: Print Cited Medium: Internet ISSN: 1945-239X (Electronic) Linking ISSN: 00219665 NLM ISO Abbreviation: J Chromatogr Sci Subsets: MEDLINE |
| Imprint Name(s): | Publication: <2012- > : Oxford : Oxford University Press Original Publication: Niles Il : Preston Technical Abstracts |
| Ιατρικοί όροι (MeSH): | Carvedilol*/chemistry , Carvedilol*/analysis , Carvedilol*/pharmacokinetics , Ivabradine*/chemistry , Ivabradine*/analysis , Ivabradine*/pharmacokinetics , Molecular Docking Simulation*/methods, Chromatography, High Pressure Liquid/methods ; Chromatography, Thin Layer/methods ; Green Chemistry Technology/methods ; Drug Stability ; Reproducibility of Results ; Limit of Detection ; Linear Models |
| Περίληψη: | Currently, many researchers strive to create eco-conscious methods for drug separation to avoid hazardous solvents. In line with this objective, this study focuses on developing two green chromatographic methods, TLC and UPLC, to determine the mixture of carvedilol (CAR) and ivabradine (IVA) used for controlling stable angina symptoms, along with their oxidative degradates. The TLC method employed toluene: methanol: ammonia (8:2:0.2, by volume) as a mobile phase and silica gel plates as the stationary phase, with detection at 270.0 nm using concentration ranges of 0.5-8.0 μg/band for each drug. The optimized UPLC method utilized a mobile phase of ethanol: 0.1% triethylamine adjusted by acetic acid to pH 6.4 (40:60 v/v) on an Agilent Poroshell C18 (150 mm × 3 mm) column, with a 0.3 mL/min flow rate at 30°C and fluorimetric detection at 285.0 nm excitation and 330.0 nm emission, with linearity of 0.2-12.0 μg/mL for both drugs. Green assessment of the proposed methods with 82 and 78 green Eco-scores, AGREE score values of 0.77 and 0.72 for UPLC and TLC methods, respectively were performed. Moreover, statistical comparison of the proposed methods with reported and official methods was conducted. Additionally, structure elucidation, molecular docking and ADMET assessment of the degradates were successfully performed. (© The Author(s) 2026. Published by Oxford University Press. All rights reserved. For commercial re-use, please contact reprints@oup.com for reprints and translation rights for reprints. All other permissions can be obtained through our RightsLink service via the Permissions link on the article page on our site—for further information please contact journals.permissions@oup.com.) |
| Substance Nomenclature: | 0K47UL67F2 (Carvedilol) 3H48L0LPZQ (Ivabradine) |
| Entry Date(s): | Date Created: 20260923 Date Completed: 20260923 Latest Revision: 20260923 |
| Update Code: | 20260923 |
| DOI: | 10.1093/chromsci/bmag028 |
| PMID: | 42775916 |
| Βάση Δεδομένων: | MEDLINE |
| ISSN: | 1945-239X |
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| DOI: | 10.1093/chromsci/bmag028 |