New Approaches for the Use of Acetoacetanilide in the Synthesis of Thiophenes and Their Fused Derivatives with Anti-Tumor Activity

Mohareb, Rafat M.; Sherif, Sherif M.; Wardakhan, Wagnat W.

doi:10.4236/oalib.1101089

Cited by 1 publication

(2 citation statements)

References 20 publications

(13 reference statements)

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“…The 3D structure of PLK1 (PDB ID: 2OWB) was retrieved from the Protein Data Bank. ChemDraw was used to design the structure of thiophene derivatives named as 8A, 8B and 14 that had been synthesized and tested against cancer cell lines by Dr. Amr S. Abouzied [15].…”

Section: Experimental Ligand and Protein Preparationsmentioning

confidence: 99%

“…Since PLK1 is linked to tumorigenesis, and can be targeted by various compounds or agents, it provides a potential route for the advancement of novel anticancer treatment. Earlier, one of the author's has explored the potency of novel thiophene derivatives (compounds named as 8A, 8B and 14) against various cancer cell lines, and found their potent activity against brain cancer, breast adenocarcinoma and non-small cell lung cancer cell lines [15]. However, the underlying mechanism of their anticancer effects still needs to be elucidated.…”

Section: Introductionmentioning

confidence: 99%

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Determination of the anti-polo like kinase 1 potential of novel derivatives of thiophene using oncoinformatics approach

Aljbreen¹,

Alrashidi²,

Salah³

et al. 2022

Trop. J. Pharm Res

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Purpose: To explore the anticancer mechanistic aspect of thiophene derivatives via targeting Polo like kinase 1 (PLK1). Methods: The PLK1 enzyme is primarily expressed in cancer cells, and blocking its active site is one of the plausible ways to target cancer. Thus, in the present study, the thiophene derivatives were tested against PLK1 by molecular docking approach. Results: Thiophene derivatives, named 8A, 8B and 14, exhibited better interactions with PLK1 active site than the positive control, doxorubicin. Molecular docking experiments revealed that 8A, 8B and 14 interacted efficiently with PLK1, and demonstrated binding energy and inhibition constant scores of ꞌ- 8.02 kcal/mol and 1.33 μMꞌ, ꞌ-8.65 kcal/mol and 0.454 μMꞌ and ꞌ-8.33 kcal/mol and 0.788 μMꞌ, respectively. In contrast, doxorubicin-PLK1 interaction had binding energy of -7.95 kcal/mol and inhibition constant of 2.75 μM. Conclusion: These results predict that thiophene derivatives 8A, 8B and 14 might exert anticancer effect by inhibiting PLK1 activity. Although, wet lab experiments are required to validate the data, however, these results may pave the way for the development of novel PLK1 inhibitors for anticancer therapy.

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Section: Experimental Ligand and Protein Preparationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%