Zayyinunnisya, Helmia (2016) Studi kompulasi pemisahan enansioner senyawa PPI (Proton Pump Inhibotor) dengan hidroksipropil-β- Siklodekstrin. Diploma thesis, UIN Sunan Gunung Djati Bandung.
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Abstract
INDONESIA Telah dilakukan studi komputasi kompleks inklusi pada empat senyawa PPI yaitu : Lansoprazol (lnz), Omeprazol (omz), Pantoprazol (pnz) dan Rabeprazol (rbz) dengan hidroksipropil-β-siklodekstrin (hp-cyd) dan ketiga bentuk dimernya (head to head, head to tail dan tail to tail) menggunakan metode kuantum semiempirik PM3. Hasil studi komputasi menunjukkan bahwa nilai keseluruhan energi ikat kompleks R-lnz lebih rendah dibandingkan nilai keseluruhan energi ikat kompleks S-lnz, nilai keseluruhan energi ikat kompleks R-omz lebih rendah dibandingkan nilai keseluruhan energi ikat kompleks S-omz, nilai keseluruhan energi ikat kompleks S-pnz lebih rendah dibandingkan nilai keseluruhan energi ikat kompleks R-pnz, dan nilai keseluruhan energi ikat kompleks R-rbz lebih rendah dibandingkan nilai keseluruhan energi ikat kompleks S-rbz, yang mengindikasikan bahwa kompleks inklusi R-lnz lebih stabil jika dibadingkan dengan kompleks inklusi S-lnz, kompleks inklusi R-omz lebih stabil jika dibadingkan dengan kompleks inklusi S-omz, kompleks inklusi S-pnz lebih stabil jika dibadingkan dengan kompleks inklusi R-pnz, dan kompleks inklusi R-rbz lebih stabil jika dibadingkan dengan kompleks inklusi S-rbz. ENGLISH Computational study on the inclusion complex between four compound PPI, i.e. : Lansoprazol (lnz), Omeprazol (omz), Pantoprazol (pnz) and Rabeprazol (rbz) with hydroxypropyl-β-cyclodextrin (hp-cyd) and all three of the dimers (head to head, head to tail and tail to tail) were simulated using quantum semi-empirical PM3 method. The computational study results showed that the overall of the binding energy of R-lnz complex is higher than S-lnz complex, the overall of the binding energy of R-omz complex is higher than S-omz complex, the overall of the binding energy of S-pnz complex is higher than R-pnz complex and the overall of the binding energy of R-rbz complex is higher than S-rbz complex, indicated that R-lnz complex is more stable than S-lnz complex, R-omz complex is more stable than S-omz complex, S-pnz complex is more stable than R-pnz complex, and R-rbz complex is more stable than S-rbz complex.
| Item Type: | Thesis (Diploma) |
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| Uncontrolled Keywords: | Studi komputasi; Semiempirik; PM3; Kompleks inklusi; PPI; Hidroksipropil-β-siklodekstrin; |
| Subjects: | Chemistry and Allied Science > Data Processing and Analysis of Chemistry |
| Divisions: | Fakultas Sains dan Teknologi > Program Studi Kimia |
| Depositing User: | rofita fita robi'in |
| Date Deposited: | 03 Dec 2019 07:35 |
| Last Modified: | 03 Dec 2019 07:35 |
| URI: | https://digilib.uinsgd.ac.id/id/eprint/28042 |
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