Crystal structure, molecular docking with SARS-CoV-2 receptors, and potential drug property of tetrahedral Zn(II) complexes
Yazarlar (6)
Swah Mohd. Nashre-Ul-Islam
Mangaldai College, Hindistan
Mangaldai College, Hindistan
Kamala Kanta Borah
Mangaldai College, Hindistan
Mangaldai College, Hindistan
Doç. Dr. Füreya Elif ÖZTÜRKKAN Kafkas Üniversitesi, Türkiye
Pravin A. Dhakite
S. N. Mor College, Hindistan
S. N. Mor College, Hindistan
Muhammad Asam Raza
University Of Gujrat, Pakistan
University Of Gujrat, Pakistan
Diego M. Gil
Universidad Nacional De Tucuman (Unt), Arjantin
Universidad Nacional De Tucuman (Unt), Arjantin
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Structural Chemistry (Q2) | ||
| Dergi ISSN | 1040-0400 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 04-2024 |
| Cilt / Sayı / Sayfa | 35 / 6 / 1719–1742 | DOI | 10.1007/s11224-024-02294-5 |
| Makale Linki | http://dx.doi.org/10.1007/s11224-024-02294-5 | ||
| Özet |
| The recent global pandemic by the outbreak of the SARS-CoV-2 virus caused about seven million deaths worldwide. The WHO approved the repurposing of antiviral drugs as the treatment protocol for COVID-19. Yet, it was insufficient to stop the outbreak of COVID-19. By virtue of a broad spectrum of variable oxidation numbers, geometries, tuneable redox, and kinetic and thermodynamic properties, transition metal complexes offer themselves as a viable alternative to the antiviral drugs against SARS-CoV-2. The computational methods in biology and chemistry are a promising starting point in this regard. Here, we present the synthesis, crystal structure, docking study with SARS-CoV-2 receptors, and potential drug property of two tetrahedral Zn(II) complexes, viz. [Zn(µ2-Bz)3]n (1) and [Zn(Phen)Cl2]2 (2) (Bz = benzoate ion, Phen = 1,10-phenanthroline). They were synthesized at room temperature and … |
| Anahtar Kelimeler |
| ADMET calculation | Hirshfeld surface analysis | Molecular docking | SARS-CoV-2 | Theoretical study | Zn(II) complexes |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 1 |
| Web of Science | 1 |
| Scopus | 1 |