Design, synthesis, cytotoxicity evaluation and molecular docking studies of 1,4-naphthoquinone derivatives

Qin, Tian; Ma, Yue; Dong, Chang-E; Wu, Wen‐Hong; Feng, Yuan-Yuan; Yang, Sen; Su, Jia-Bin; Wang, Xiujun; Shi, Da-Hua

doi:10.1016/j.molstruc.2022.133067

Cited by 3 publications

(2 citation statements)

References 28 publications

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“…8 In cellular activities, such as growth, survival, invasion, and angiogenesis during tumor initiation and development, protein kinases play different signaling pathways. 9 The initial tumor and any resulting metastases are dependent on angiogenesis, according to recent research. Several protein kinases, including the growth factors, regulate the angiogenesis process.…”

Section: Introductionmentioning

confidence: 99%

Design, Synthesis, and Biological Evaluation Studies of Novel Naphthalene-Chalcone Hybrids As Antimicrobial, Anticandidal, Anticancer, and VEGFR-2 Inhibitors

et al. 2023

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Cancer is a progressive disease that is frequently encountered worldwide. The incidence of cancer is increasing with the changing living conditions around the world. The side-effect profile of existing drugs and the resistance developing in long-term use increase the need for novel drugs. In addition, cancer patients are not resistant to bacterial and fungal infections due to the suppression of the immune system during the treatment. Rather than adding a new antibacterial or antifungal drug to the current treatment plan, the fact that the drug with anticancer activity has these effects (antibacterial and antifungal) will increase the patient's quality of life. For this purpose, in this study, a series of 10 new naphthalenechalcone derivatives were synthesized and their anticancer-antibacterial-antifungal properties were investigated. Among the compounds, compound 2j showed activity against the A549 cell line with an IC 50 = 7.835 ± 0.598 μM. This compound also has antibacterial and antifungal activity. The apoptotic potential of the compound was measured by flow cytometry and showed apoptotic activity of 14.230%. The compound also showed 58.870% mitochondrial membrane potential. Compound 2j inhibited VEGFR-2 enzyme with IC 50 = 0.098 ± 0.005 μM. Molecular docking studies of the compounds were carried out by in silico methods against VEGFR-2 and caspase-3 enzymes.

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Section: Introductionmentioning

confidence: 99%

Design, Synthesis, and Biological Evaluation Studies of Novel Naphthalene-Chalcone Hybrids As Antimicrobial, Anticandidal, Anticancer, and VEGFR-2 Inhibitors

et al. 2023

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“…Current evidence confirmed that angiogenesis depends on the primary tumor and the resulting metastasis. The angiogenesis process is under the control of various protein kinases, including the growth factors (Qin et al, 2022). In the target drug design model, the growth factor receptors are the promising target on the cell surface proteins in the treatment of solid tumor cancer diseases.…”

Section: Introductionmentioning

confidence: 99%

Design, synthesis, and molecular docking studies of novel quinoxaline derivatives as anticancer agents

et al. 2023

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As lung cancer was placed foremost part among other types of cancer in terms of mortality. Recent researches are widely focused on developing multi‐targeted and site‐specific targeted drug designs. In the present study, we designed and developed a series of quinoxaline pharmacophore derivatives as active EGFR inhibitors for the treatment of non‐small cell lung cancer. The compounds were synthesized through a condensation reaction between hexane‐3,4‐dione and methyl 3,4‐diaminobenzoate as a first step. Their structures were confirmed by 1H‐NMR, 13C‐NMR, and HRMS spectroscopic methods. Cytotoxicity (MTT) were applied to determine anticancer activity of the compounds against breast (MCF7), fibroblast (NIH3 T3), and lung (A549) cell lines as EGFR inhibitors. Doxorubicin was used as a reference agent, compound 4i exhibited a significant effect among other derivatives with IC50 = 3.902 ± 0.098 μM value against A549 cell line. The docking study showed that the best position on EGFR receptor could be observed with 4i. From the obtained evaluations of the designed series, compound 4i was a promising agent as EGFR inhibitor for further investigation and evaluation studies in the future.

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New naphthoquinone thiazole hybrids as carbonic anhydrase and cholinesterase inhibitors: Synthesis, crystal structure, molecular docking, and acid dissociation constant

Efeoglu,

Selcuk,

Demir

et al. 2024

Journal of Molecular Structure

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Design, synthesis, cytotoxicity evaluation and molecular docking studies of 1,4-naphthoquinone derivatives

Cited by 3 publications

References 28 publications

Design, Synthesis, and Biological Evaluation Studies of Novel Naphthalene-Chalcone Hybrids As Antimicrobial, Anticandidal, Anticancer, and VEGFR-2 Inhibitors

Design, Synthesis, and Biological Evaluation Studies of Novel Naphthalene-Chalcone Hybrids As Antimicrobial, Anticandidal, Anticancer, and VEGFR-2 Inhibitors

Design, synthesis, and molecular docking studies of novel quinoxaline derivatives as anticancer agents

New naphthoquinone thiazole hybrids as carbonic anhydrase and cholinesterase inhibitors: Synthesis, crystal structure, molecular docking, and acid dissociation constant

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