Investigation of Structural, Spectral, Biological Activity of Monohydrous Dihydrogen Phosphate Salt of Ciprofloxacin: Computational and Molecular Docking Study
Yazarlar (4)
Doç. Dr. Tuğba AK KİRBAŞ Sinop Üniversitesi, Türkiye
Doç. Dr. Filiz Öztürk Ondokuz Mayıs Üniversitesi, Türkiye
Doç. Dr. Nilgün Özdemir Ondokuz Mayıs Üniversitesi, Türkiye
Hümeyra Paşaoğlu
Türkiye
Türkiye
| Makale Türü |
Özgün Makale
(Ulusal alan endekslerinde (TR Dizin, ULAKBİM) yayınlanan tam makale)
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| Dergi Adı | International journal of advances in engineering and pure sciences | ||
| Dergi ISSN | 2636-8277 | ||
| Dergi Tarandığı Indeksler | TR DİZİN | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2020 |
| Cilt / Sayı / Sayfa | 32 / 1 / 42–51 | DOI | 10.7240/jeps.580978 |
| Makale Linki | https://search.trdizin.gov.tr/tr/yayin/detay/387153/investigation-of-structural-spectral-biological-activity-of-monohydrous-dihydrogen-phosphate-salt-of-ciprofloxacin-computational-and-molecular-docking-study | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
Spektroskopi
Medikal Fizik
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| Özet |
| The present study describes the synthesis, spectroscopic and biological activity of Monohydrous Dihydrogen Phosphate Salt of Ciprofloxacin (MDPSC). The asymmetrical part of the unit cell contains one ciprofloxacin cation, one dihydrogen phosphate anion and one water molecule. The techniques used for the characterization are single crystal X-ray diffraction and spectroscopic method (IR, UV) and thermal analysis. The molecular structure was theoretically optimized using DFT/B3LYP/6-31G(d,p) methods for ground state, and compared with experimental values. Scaled theoretical vibrational frequencies are compared with experimental values. The UV-Vis results that experimentally obtained are compared with the calculated electronic properties such as HOMO and LUMO energies and the MEP are also investigated. The vibrational frequences has been studied by comparing the characteristic bands related to the functional groups of the compound and the ciprofloxacin. Thermal properties have been investigated with TGA. Biological study of the complex against Staphylococcus aerous, Escherichia coli, Candida Albicans, Bacillus Subtilis, Pseudomonas aeruginosa and Aspergillus Flavus showed very strong antibacterial activity with MIC values ranging from 512 µg mL -1 to 1 µg mL -1 . The optimized complex is docked to the 5J9B, 5BMM, 5HTG, 1ZUV, 4F0V and 4YNU . |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 2 |