Synthesis, crystal structure, potential drug properties for Coronavirus of Co(II) and Zn(II) 2-chlorobenzoate with 3-cyanopyridine complexes
Yazarlar (7)
Doç. Dr. Füreya Elif ÖZTÜRKKAN Kafkas Üniversitesi, Türkiye
Mücahit Özdemir Marmara Üniversitesi, Türkiye
Doç. Dr. Giray Buğra AKBABA Kafkas Üniversitesi, Türkiye
Doç. Dr. Mustafa SERTÇELİK Kafkas Üniversitesi, Türkiye
Bahattin Yalçın Marmara Üniversitesi, Türkiye
Prof. Dr. Hacali NECEFOĞLU Kafkas Üniversitesi, Türkiye
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Hacettepe Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2022 |
| Cilt / Sayı / Sayfa | 1250 / 1 / 131825–0 | DOI | 10.1016/j.molstruc.2021.131825 |
| Makale Linki | https://ars.els-cdn.com/content/image/1-s2.0-S0022286021019475-ga1_lrg.jpg | ||
| Özet |
| Two new complexes of Co(II) and Zn(II) 2-chlorobenzoate (2-ClBA) with 3-cyanopyridine (CNP) of the general formula [Co(2-ClBA)2(CNP)2(H2O)2] and [Zn(2-ClBA)2(CNP)2(H2O)2] were synthesized. The structures of the complexes were characterized by single crystal XRD and FT-IR and NMR spectroscopy and Mass Spectrometry (MALDI-TOF MS) methods. Mononuclear complexes exhibit octahedral coordination. In addition, Hirshfeld surface analysis was performed to determine non-covalent interactions in crystal packing. The geometry optimization of the molecules was carried out using the LANL2DZ level of theory of the DFT method and the obtained findings were confirmed by comparing with the data obtained from the single crystal X-ray diffraction method. The theoretical and experimental bond angles and lengths are very close to each other. The effectiveness of the complexes against SARS-CoV-2 … |
| Anahtar Kelimeler |
| ADMET | Arylcarboxylates | DFT | Molecular docking | SARS-CoV-2 | Transition metal complex |
Science Direct
Synthesis, crystal structure, potential drug properties for Coronavirus of Co(II) and Zn(II) 2-chlorobenzoate with 3-cyanopyridine complexes
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 15 |
| Web of Science | 11 |
| Scopus | 5 |