Tehran University of Medical Sciences

Science Communicator Platform

Share By
Synthesis, Biological Evaluation, and Molecular Docking Analysis of Novel 1,4-Naphthoquinone-Benzamides As Anti-Cancer Agents Publisher



Vosoughi Motlagh H ; Emami M ; Sayahi MH ; Negahdaripour M ; Dastyafteh N ; Ghasemi Y ; Gohari MR ; Asadi M ; Larijani B ; Mohajeritehrani MR ; Abedi M ; Pakrouh Jahromi Z ; Sajjadijazi SM ; Mahdavi M Show All Authors
Authors
  1. Vosoughi Motlagh H
  2. Emami M
  3. Sayahi MH
  4. Negahdaripour M
  5. Dastyafteh N
  6. Ghasemi Y
  7. Gohari MR
  8. Asadi M
  9. Larijani B
  10. Mohajeritehrani MR
  11. Abedi M
  12. Pakrouh Jahromi Z
  13. Sajjadijazi SM
  14. Mahdavi M
  15. Amanlou M
  16. Ranjbar S

Source: Journal of Molecular Structure Published:2026


Abstract

This study presents the synthesis of new 2-amino-1,4-naphthoquinone-N-alkyl/arylbenzamide derivatives (5a-n) and evaluates their cytotoxicity against two human cancer cells (A549 and MCF-7), as well as against normal human cells (MRC-5), using the MTT assay. Compound 5a demonstrated superior cytotoxicity compared to other derivatives against the A549 and MCF-7 cells, with IC50 values of 11.4 ± 2.7 and 13.9 ± 1.1 μM, respectively. Its anti-tumor activity was comparable to that of cisplatin. Additionally, 5a exhibited selectivity toward cancer cell lines over MRC-5 (IC50 = 72.7 ± 3.2 μM). Further investigations revealed that 5a could effectively cause cell cycle arrest at the G0/G1 phase and induce apoptosis in A549 cells. Molecular docking studies were also conducted to assess the potential interactions of 5a with the binding sites of phosphatidylinositol 3-kinase and caspase-8. These findings provide new insights for further development of naphthoquinone derivatives as anti-cancer agents. © 2025
Related Docs
View other Related Docs
1. Design, Synthesis, and Cytotoxic Activity of 2-Amino-1,4-Naphthoquinone-Benzamide Derivatives As Apoptosis Inducers, Scientific Reports (2024)
2. Coumarin Derivatives As Potential Anticancer Agents: Synthesis, Antiproliferative Activity, Apoptosis, and Molecular Docking Studies, Results in Chemistry (2025)
3. New 1,3-Diphenylquinoxaline-6-Carboxamide Derivatives As Promising Anticancer Agents: Design, Synthesis, Cytotoxic Assays, Molecular Modeling, and Binding Studies With Hsa/Dna, Journal of Molecular Structure (2026)
Experts (# of related papers)
View all Related Experts
Alireza Foroumadi (5)
Bagher Larijani (5)
Other Related Docs
4. Design, Synthesis and Biological Evaluation of Novel Diaryl Pyrazole Derivatives As Anticancer Agents, Letters in Organic Chemistry (2020)
5. Synthesis, Biological Evaluation, and Docking Analysis of Novel Benzimidazole-Triazole Hybrids As Potential Anticancer Agents, RSC Advances (2025)
6. Synthesis, Molecular Docking Study, and Cytotoxic Activity of 1,3,5-Triaryl Pyrazole Derivatives, Letters in Drug Design and Discovery (2016)
7. Design, Synthesis, and Biological Evaluation of 1-(5-(Benzylthio)-1,3,4-Thiadiazol-2-Yl)-3-Phenylurea Derivatives As Anticancer Agents, Medicinal Chemistry Research (2020)
8. Design, Synthesis, Biological Evaluation, and in Silico Studies of Novel N-Substituted-2-(3,4,5-Trimethoxyphenyl)-1H-Benzo[D]Imidazole-6-Carboxamides As Promising Anticancer Agents, RSC Advances (2024)
9. New Benzothiazole-Indole-1,2,3-Triazole-N-Phenylacetamide Derivatives As Cytotoxic Agents: Design, Synthesis, and in Vitro Cytotoxic Evaluations, Journal of Molecular Structure (2025)
10. Design of Chiral 2-Oxazoline-Based Amino Acid Bioconjugates As Anticancer Agents: Synthesis, in Vitro Anticancer Activity, Admet Prediction With Molecular Docking and Molecular Dynamic Simulation Insights, Archives of Biochemistry and Biophysics (2025)
11. Synthesis, Molecular Docking Study, and Cytotoxic Activity of 3,4-Diaryl-5-(4-Pyridinyl)-1,2,4-Oxadiazole, Medicinal Chemistry (2016)
12. Synthesis, Anti-Proliferative Evaluation, and Molecular Docking Studies of 3-(Alkylthio)-5,6-Diaryl-1,2,4-Triazines As Tubulin Polymerization Inhibitors, Letters in Drug Design and Discovery (2019)
13. An Experimental and Theoretical Approach of a Novel Phosphoramide Containing Naphthoquinone With Potential Cytotoxic and Apoptosis-Inducing Ability, Journal of Molecular Structure (2025)
14. Cytotoxicity and Pro-Apoptosis Activity of Synthetic Phenylacetamide Derivatives on Cancer Cells, Pharmaceutical Sciences (2025)
15. Designing a Temporin-1Cea Analog With Improved in Vitro Selectivity Towards Prostate Cancerous Cell Line (Lncap), Acta Scientiarum - Technology (2024)
16. Synthesis, Antibacterial and Anticancer Activities Evaluation of New 4-Thiazolidinone-Indolin-2-One Analogs, Biointerface Research in Applied Chemistry (2022)
17. Anticancer Effects of Synthetic Hexahydrobenzo [G]Chromen-4-One Derivatives on Human Breast Cancer Cell Lines, Breast Cancer (2017)
18. Design, Synthesis and Evaluation of Novel Tetrahydropyridothienopyrimidin-Ureas As Cytotoxic and Anti-Angiogenic Agents, Scientific Reports (2022)
19. New Phosphoramides Containing 2-Amino-1,4-Naphthaquinone Moiety As Anticancer and Antibacterial Agents: Experimental and Theoretical Evaluations, Process Biochemistry (2023)
20. Design, Synthesis, and Bioactivity Assessment of Highly Potent Isatin-Based Small-Molecules Bearing 3-Hydrazineyl-6-Aryl-1,2,4-Triazine Moieties As Potential C-Met Targeting Anticancer Agents, Bioorganic Chemistry (2026)