| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2025 |
| Cilt / Sayı / Sayfa | 1322 / 1 / 140702–0 | DOI | 10.1016/j.molstruc.2024.140702 |
| Makale Linki | http://dx.doi.org/10.1016/j.molstruc.2024.140702 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| In this study, ten novel halogenated arylidenehydrazide derivatives were synthesized and characterized through ¹H, ¹³C APT, ¹⁹F NMR, HSQC, HMBC, HRMS, and FT-IR techniques. Cytotoxic evaluations against PC3 prostate cancer and HUVEC cell lines identified compounds 8 and 14 as lead candidates, achieving IC₅₀ values of 4.49 µM and 4.78 µM, respectively, with notable selectivity indexes of 12.15 and 11.78, underscoring their specificity against PC3 cells. Molecular docking studies targeting AR, VEGFR1, EGFR, and VEGFR2 suggested potential inhibitory mechanisms, with compounds 8 and 14 displaying substantial binding affinities for AR and VEGFR1. Compound 8 achieved IFD scores of -12.900 kcal/mol for AR and -10.895 kcal/mol for VEGFR1, while compound 14 recorded scores of -10.323 kcal/mol and -10.379 kcal/mol, respectively. Complementary MM-GBSA analyses revealed favorable … |
| Anahtar Kelimeler |
| Hydrazide | Hydrazone | Molecular docking | Molecular dynamics | MTT | Prostate cancer |
| Atıf Sayıları | |
| Web of Science | 26 |
| Scopus | 32 |
| Google Scholar | 35 |
| Dergi Adı | Journal of Molecular Structure |
| Yayıncı | Elsevier B.V. |
| Açık Erişim | Hayır |
| ISSN | 0022-2860 |
| E-ISSN | 1872-8014 |
| CiteScore | 8,0 |
| SJR | 0,628 |
| SNIP | 0,999 |