Synthesis, antitumor activity and molecular docking study of novel Sulfonamide-Schiff's bases, thiazolidinones, benzothiazinones and their C-nucleoside derivatives

Abstract Background The ginsenosides have been reported to possess a variety of biological activities. Synthesized from the ginsenoside Protopanaxadiol (PPD), the octanone Pseudoginsengenin DQ (PDQ) may have stronger pharmacological effects as a secondary ginsenoside. Nevertheless, its antitumor activity and molecular mechanism against hypopharyngeal cancer cells remains unclear. Methods Cell Counting Kit-8, cell cycle assay and cell apoptosis assay were conducted to detect FADU cells proliferation, cell phase and apoptosis. The interactions between PDQ and HIF-1α were investigated by a molecular docking study. The expression of HIF-1α, GLUT1, apoptosis related proteins was tested by western blotting, direct stochastic optical reconstruction microscopy (dSTORM) and qRT-PCR. Glucose uptake assay was used to assess the glucose uptake capacity of FADU cells. Results PDQ was found to suppress the proliferation, reduce glucose uptake, induce the cell cycle arrest and apoptosis of FaDu cells. Molecular docking study demonstrated that PDQ could interact with the active site of HIF-1α. PDQ decreased the expression and mRNA levels of HIF-1α and its downstream factor GLUT1. Moreover, dSTORM results showed that PDQ reduced GLUT1 expression on the cell membrane but also inhibited its clustering. Conclusion Our work elucidated that the antitumor effect of PDQ is related to its downregulation of HIF-1α-GLUT1 pathway, suggesting that PDQ could be a potential therapeutic agent for hypopharyngeal cancer treatment.

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Design, Synthesis, QSAR, Molecular Docking Study and Antitumor Activity of some Novel Quinazolin-4(3H)-One Derivatives

Journal of Pharmaceutical and Applied Chemistry ◽

10.18576/jpac/030210 ◽

2017 ◽

Vol 3 (2) ◽

pp. 161-175

Author(s):

Taghreed Z Shawer ◽

Hend M. El-Sehrawi ◽

Reda E. Mansour

Keyword(s):

Molecular Docking ◽

Antitumor Activity ◽

Docking Study ◽

Molecular Docking Study ◽

Design Synthesis

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NOVEL SCHIFF'S BASES OF SUBSTITUTED 2-AMINO BENZOTHIAZOLES: DESIGN, SYNTHESIS AND ANTIMICROBIAL ACTIVITY

INDIAN DRUGS ◽

10.53879/id.55.04.11219 ◽

2018 ◽

Vol 55 (04) ◽

pp. 18-26

Author(s):

D. Sai Priya ◽

◽

S. G Kini ◽

V. G Bhatt ◽

E Rathi ◽

...

Keyword(s):

Antimicrobial Activity ◽

Docking Study ◽

Single Step ◽

Mass Spectrometry Data ◽

Diffusion Method ◽

Bacterial Strains ◽

Schiff’S Bases ◽

Molecular Docking Study ◽

Design Synthesis ◽

Schiff's Bases

Novel Schiff’s bases bearing substituted 2-amino benzothiazole were synthesized by single step process through simple condensation of 2-amino benzothiazole and substituted benzaldehydes and further characterized by FTIR, 1HNMR, and Mass spectrometry data. Antimicrobial activity of compounds was performed by agar diffusion method against a panel of bacterial strains such as S. aureus, B. subtilis (Gram-positive bacteria), E. coli, P. aeruginosa (Gram-negative bacteria) and fungal strains such as C. albicans and A. niger. Compound S13 and S17 had shown potent antifungal activity against C. albicans and A. niger respectively among the novel Schiff’s base compounds when compared to standard, and S13 compound had only shown moderate antibacterial activity against S. aureus amongst all. Molecular docking study was carried out against C. albicans DHFR (Dihydrofolate Reductase) domain to confirm their activity.

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