Novel 4-((3-fluorobenzyl)oxy)benzohydrazide derivatives as promising anti-prostate cancer agents: Synthesis, characterization and in vitro & in silico biological activity studies
Yazarlar (11)
Arş. Gör. Furkan Çakır Istanbul Üniversitesi, Türkiye
Şeyma Ateşoğlu Bezmiâlem Vakıf Üniversitesi, Türkiye
Dr. Öğr. Üyesi Aytekin Köse Aksaray Üniversitesi, Türkiye
Mansour Ghaffari-Moghaddam
University of Zabol, İran
Fahri Akbaş Bezmiâlem Vakıf Üniversitesi, Türkiye
Habib Kınay
Bezmiâlem Vakıf Üniversitesi, Türkiye
Dr. Öğr. Üyesi Ebru Didem Kuran University of Kent, İngiltere
Nuray Ulusoy-Güzeldemirci
Istanbul Üniversitesi, Türkiye
Doç. Dr. Namık Kılınç Iğdır Üniversitesi, Türkiye
Doç. Dr. Feyzi Sinan TOKALI Kafkas Üniversitesi, Türkiye
Doç. Dr. Halil Şenol Bezmiâlem Vakıf Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Structure (Q2)
Dergi ISSN 0022-2860 Dergi Bilgileri (2025)
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
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