Antitumor activities on HL-60 human leukemia cell line, molecular docking, and quantum-chemical calculations of some sulfonamide-benzoxazoles.
We previously synthesized some novel benzoxazole derivatives-containing sulfonamide. In this study, the compounds were investigated for their antitumor activities against the HL-60 human leukemia cells, using the MTT assay. Moreover, quantum chemical calculations using the DFT methods were applied for understanding the difference in antitumor activity. Additionally, molecular docking into active site of the DNA Topo II enzyme was performed on 3QX3. PDB file in order to find out possible mechanism of antitumor effect. According to all obtained results showed that compounds 1b, 1c, and 1d could be potential drug candidates as new antitumor agents, and are promising for cancer therapy.
a Molecular Biology Division, Department of Biology, Faculty of Science and Letters , Aksaray University , Aksaray , Turkey.
Emine
E
Oksuzoglu
b Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Ankara University , Tandogan , Ankara , Turkey.
Tugba
T
Ertan-Bolelli
c Department of Chemistry, Faculty of Basic Sciences , Gebze Technical University , Gebze-Kocaeli , Turkey.
Hatice
H
Can
a Molecular Biology Division, Department of Biology, Faculty of Science and Letters , Aksaray University , Aksaray , Turkey.
Mehtap
M
Tarhan
a Molecular Biology Division, Department of Biology, Faculty of Science and Letters , Aksaray University , Aksaray , Turkey.
Kamile
K
Ozturk
b Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Ankara University , Tandogan , Ankara , Turkey.
Ilkay
I
Yildiz
D000970:Antineoplastic Agents / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D017209:Apoptosis / Q000187:drug effects; D001583:Benzoxazoles / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D049109:Cell Proliferation / Q000187:drug effects; D004250:DNA Topoisomerases, Type II / Q000737:chemistry / Q000378:metabolism; D004354:Drug Screening Assays, Antitumor; D018922:HL-60 Cells; D006801:Humans; D007938:Leukemia / Q000473:pathology*; D062105:Molecular Docking Simulation; D009690:Nucleic Acid Conformation; D011487:Protein Conformation; D011789:Quantum Theory; D013329:Structure-Activity Relationship; D013449:Sulfonamides / Q000737:chemistry*
D000970:Antineoplastic Agents; D001583:Benzoxazoles; D013449:Sulfonamides; D004250:DNA Topoisomerases, Type II
Antitumor activity; HL-60 human leukemia cell line; benzoxazole; molecular docking; quantum chemical calculations; sulfonamide; topoisomerase II