Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide
Yazarlar (6)
Doç. Dr. Şükriye ÇAKMAK Sinop Üniversitesi, Türkiye
Doç. Dr. Tuğba AK KİRBAŞ Sinop Üniversitesi, Türkiye
Doç. Dr. Hasan Yakan Ondokuz Mayis Üniversitesi, Türkiye
Doç. Dr. Aysel VEYİSOĞLU Sinop Üniversitesi, Türkiye
Prof. Dr. Hasan Tanak Amasya Üniversitesi, Türkiye
Prof. Dr. Meryem Evecen Amasya Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Acta Crystallographica Section C Structural Chemistry (Q3) | ||
| Dergi ISSN | 2053-2296 Dergi Bilgileri (2023) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 05-2023 |
| Cilt / Sayı / Sayfa | 79 / 1 / 249–256 | DOI | 10.1107/S2053229623003418 |
| Makale Linki | http://dx.doi.org/10.1107/s2053229623003418 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
Spektroskopi
Medikal Fizik
|
||
| Özet |
| N-[(4-Fluorophenyl)sulfanyl]phthalimide (C14H8FNO2S, FP) was synthesized and characterized using X-ray crystallography. It was then investigated via quantum chemical analysis using the density functional theory (DFT) approach, as well as spectrochemically using FT--IR and 1H and 13C NMR spectroscopy, and elemental analysis. The observed and stimulated spectra are in very good agreement for the DFT method. The in vitro antimicrobial activity of FP against three Gram-positive bacteria, three Gram-negative bacteria and two fungi were determined using the serial dilution method, and FP showed the highest antibacterial activity against E. coli, with a MIC of 128 µg ml−1. Druglikeness, ADME (absorption, distribution, metabolism and excretion) and toxicology studies were carried out to theoretically examine the drug properties of FP. |
| Anahtar Kelimeler |
| ADMET | antimicrobial activity | crystal structure | phthalimide | spectroscopic studies | sulfenimide | XRD |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 3 |