Scopus
YÖKSİS Eşleşti
Determination of the interactions of a schiff base with different targets via molecular docking and cytotoxic activity studies
Journal of the Indian Chemical Society · Kasım 2024
YÖKSİS Kayıtları
Determination of the interactions of a schiff base with different targets via molecular docking and cytotoxic activity studies
Journal of the Indian Chemical Society · 2024 SCI-Expanded
ÖĞRETİM GÖREVLİSİ İREM BAYAR →
Makale Bilgileri
DergiJournal of the Indian Chemical Society
Yayın TarihiKasım 2024
Cilt / Sayfa101
Scopus ID2-s2.0-85205424306
Özet
The pyrimidine nucleus is a vital pharmacophore that exhibits excellent pharmacological activity. A Schiff base containing a pyrimidine nucleus was obtained in two steps. This compound was assessed on the human prostate (PC3) and liver (HepG2) cancer cell lines using the MTT method. The prepared compound 3 was determined to have a high cytotoxic effect towards prostate cancer with an IC50 value of 9.32 μM. Since experimental prostate and liver cancer studies were examined, the molecular docking study's target structures were determined accordingly. In molecular docking studies, compound 3 interacted in silico with the crystal structure of the human HER2 kinase domain (PDB Id: 3PP0), the crystal structure of VEGFR-2 (PDB Id: 4ASD), and the crystal structure of EGFR tyrosine kinase (PDB Id: 4HJO), respectively. As a result of these interactions, binding energy values were calculated, and binding modes were determined. Additional in vitro and in vivo experiments targeting other cancer cell lines will provide deeper insight into the anticancer spectrum of this compound and new studies on this compound will be planned in the following years. Furthermore, optimizing and studying such pyrimidine-based Schiff base compounds for improved selectivity and potency against prostate cancer is also considered to be valuable as it may increase the potential to capture potential drug candidates.
Yazarlar (4)
1
Burçin Türkmenoğlu
ORCID: 0000-0002-5770-0847
2
İrem Bayar
3
Zülbiye Kökbudak
ORCID: 0000-0003-2413-9595
4
Senem Akkoc
ORCID: 0000-0002-1260-9425
Anahtar Kelimeler
Cancer
Cytotoxic activity
Molecular docking
Schiff base
Kurumlar
Bahçeşehir Üniversitesi
Istanbul Turkey
Erciyes Üniversitesi
Kayseri Turkey
Erzincan Binali Yıldırım Üniversitesi
Erzincan Turkey
Selçuk Üniversitesi
Selçuklu Turkey
Süleyman Demirel Üniversitesi
Isparta Turkey