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Synthesis, anticancer evaluation and molecular docking studies of new benzimidazole- 1,3,4-oxadiazole derivatives as human topoisomerase types I poison
- Source :
- Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 35, Iss 1, Pp 1657-1673 (2020), Journal of Enzyme Inhibition and Medicinal Chemistry, article-version (VoR) Version of Record
- Publication Year :
- 2020
- Publisher :
- Taylor & Francis, 2020.
-
Abstract
- In this study, some benzimidazole-oxadiazole derivatives were synthesised and tested for their in vitro anticancer activities on five cancer cell lines, including HeLa, MCF7, A549, HepG2 and C6. Their structures were elucidated by IR, 1H-NMR, 13C-NMR, 2 D-NMR and HRMS spectroscopic methods. Among all screened compounds; 5a, 5b, 5d, 5e, 5k, 5l, 5n and 5o exhibited potent selective cytotoxic activities against various tested cancer cell lines. Especially, compounds 5l and 5n exhibited the most antiproliferative activity than Hoechst 33342 and doxorubicin against HeLa cell line, with IC50 of 0.224 ± 0.011 µM and 0.205 ± 0.010 µM, respectively. Furthermore, these potent lead cytotoxic agents were evaluated in terms of their inhibition potency against Topoisomerase I and it was determined that selected compounds inhibited the Topoisomerase I. Docking studies were performed and probable interactions in the DNA-Topo I enzyme complex was determined.
- Subjects :
- Benzimidazole
Antineoplastic Agents
RM1-950
anticancer
benzimidazole
Cell Line
HeLa
chemistry.chemical_compound
Mice
Structure-Activity Relationship
Drug Discovery
1,3,4-oxadiazole
Animals
Humans
dna topo i
Cell Proliferation
Pharmacology
biology
Dose-Response Relationship, Drug
Molecular Structure
Chemistry
Topoisomerase
hoechst 33342
General Medicine
biology.organism_classification
Combinatorial chemistry
Molecular Docking Simulation
DNA Topoisomerases, Type I
biology.protein
1 3 4 oxadiazole derivatives
Therapeutics. Pharmacology
Cancer cell lines
Drug Screening Assays, Antitumor
Topoisomerase I Inhibitors
Research Article
Research Paper
Subjects
Details
- Database :
- OpenAIRE
- Journal :
- Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 35, Iss 1, Pp 1657-1673 (2020), Journal of Enzyme Inhibition and Medicinal Chemistry, article-version (VoR) Version of Record
- Accession number :
- edsair.doi.dedup.....3450561e6e0019c086070542e11bb00c
- Full Text :
- https://doi.org/10.6084/m9.figshare.12850349.v2