Synthesis and molecular docking of hybrids ionic azole Schiff bases as novel CDK1 inhibitors and anti-breast cancer agents: in vitro and in vivo study

2021 ◽  
pp. 131041
Author(s):  
Waleed M. Serag ◽  
Faten Zahran ◽  
Yasmin M. Abdelghany ◽  
Reda F.M. Elshaarawy ◽  
Moustafa S. Abdelhamid
Keyword(s):  
Breast Cancer ◽  
Molecular Docking ◽  
Schiff Bases ◽  
In Vivo Study

scholarly journals Mibefradil inhibits the proliferation of triple-negative breast cancer by targeting AURKA to regulate apoptosis signal pathway

2021 ◽  
Author(s):  
Xu Han ◽  
Xiujuan Qu ◽  
Beixing Liu ◽  
Yizhe Wang ◽  
Yang Cheng ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Cell Cycle ◽  
Molecular Docking ◽  
Triple Negative Breast Cancer ◽  
Triple Negative ◽  
Therapeutic Drug ◽  
Specific Gene ◽  
In Vivo Models

Abstract Background: Triple negative breast cancer (TNBC) is a tumor characterized by high recurrence and mortality, but without effective targeted therapy. It is urgent to explore new treatment strategy to improve the efficacy of TNBC therapy. Methods: Transcriptomic profiling datasets of TNBC were used for screening TNBC specific gene sets. Drug prediction was performed in Connectivity map (CMap) database. Molecular docking method was used for analyzing drug targets. In vitro and in vivo models of TNBC were constructed to examine the drug efficacy. Results: We screened out Mibefradil, a T-type Ca2+ channel blocker, might be a potential therapeutic drug for TNBC by transcriptomics and bioinformatics analysis, and verified that Mibefradil could inhibit the proliferation of TNBC cells by inducing apoptosis and cell cycle arrest. Furthermore, by network pharmacology and molecular docking analysis, AURKA was predicted as the most possible drug target of Mibefradil. Finally, it was proved that Mibefradil treatment could induce apoptosis by decreasing protein expression and phosphorylation level of AURKA in vitro and in vivo. Conclusions: Mibefradil played anti-cancer role in TNBC cells by targeting to AURKA to induce cell cycle and apoptosis. Our results repurposed Mibefradil as a potential targeted drug of TNBC and provided a fundamental research for a novel strategy TNBC treatment.

scholarly journals Antitumor activity of aqueous extract of Ziziphus jujube fruit in breast cancer: An in vitro and in vivo study

2015 ◽  
Vol 4 (2) ◽  
pp. 116-122 ◽  
Author(s):  
Reyhane Hoshyar ◽  
Zabihollah Mohaghegh ◽  
Nihad Torabi ◽  
Aliyeh Abolghasemi
Keyword(s):  
Breast Cancer ◽  
Antitumor Activity ◽  
Aqueous Extract ◽  
In Vivo Study ◽  
Jujube Fruit ◽  
Ziziphus Jujube

scholarly journals In Vitro and In Vivo Study on the Effect of Lysosome-associated Protein Transmembrane 4 Beta on the Progression of Breast Cancer

2019 ◽  
Vol 22 (3) ◽  
pp. 375 ◽  
Author(s):  
Deyou Tao ◽  
Junqing Liang ◽  
Yihong Pan ◽  
Yanting Zhou ◽  
Ying Feng ◽  
...  
Keyword(s):  
Breast Cancer ◽  
In Vivo Study

Treatment of breast cancer with engineered novel pH-sensitive triaryl-(Z)-olefin niosomes containing hydrogel: an in vitro and in vivo study

2019 ◽  
Vol 30 (2) ◽  
pp. 126-135 ◽  
Author(s):  
Heba F. Salem ◽  
Rasha M. Kharshoum ◽  
Amr Gamal F. ◽  
Fatma I. Abo El-Ela ◽  
Khaled R. A. Abdellatif
Keyword(s):  
Breast Cancer ◽  
Ph Sensitive ◽  
In Vivo Study

scholarly journals Antibacterial and molecular docking studies of newly synthesized nucleosides and Schiff bases derived from sulfadimidines

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Hamada H. Amer ◽  
Essam Hassan Eldrehmy ◽  
Salama Mostafa Abdel-Hafez ◽  
Youssef Saeed Alghamdi ◽  
Magdy Yassin Hassan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Schiff Bases ◽  
Docking Studies ◽  
Bacterial Strains ◽  
Antibacterial Effects ◽  
Molecular Docking Studies ◽  
E Coli ◽  
Inhibition Zones

AbstractA new series of nucleosides, moieties, and Schiff bases were synthesized from sulfadimidine. Infrared (IR), 1HNMR, 13C NMR, and mass spectrometry techniques and elemental analysis were employed to elucidate the synthesized compounds. The prepared analogues were purified by different chromatographic techniques (preparative TLC and column chromatography). Molecular docking studies of synthesized compounds 3a, 4b, 6a, and 6e demonstrated the binding mode involved in the active site of DNA gyrase. Finally, all synthesized compounds were tested against selected bacterial strains. The most effective synthesized compounds against S. aureus were 3a, 4d, 4b, 3b, 3c, 4c, and 6f, which exhibited inhibition zones of inhibition of 24.33 ± 1.528, 24.67 ± 0.577, 23.67 ± 0.577, 22.33 ± 1.528, 18.67 ± 1.528 and 19.33 ± 0.577, respectively. Notably, the smallest zones were observed for 4a, 6d, 6e and 6g (6.33 ± 1.528, 11.33 ± 1.528, 11.67 ± 1.528 and 14.66 ± 1.155, respectively). Finally, 6b and 6c gave negative zone values. K. pneumoniae was treated with the same compounds and the following results were obtained. The most effective compounds were 4d, 4c, 4b and 3c, which showed inhibition zones of 29.67 ± 1.528, 24.67 ± 0.577, 23.67 ± 1.155 and 19.33 ± 1.528, respectively, followed by 4a and 3d (15.33 ± 1.528 for both), while moderate results (13.67 ± 1.155 and 11.33 ± 1.528) were obtained for 6f and 6g, respectively. Finally, 6a, 6b, 6c, 3a, and 3b did not show any inhibition. The most effective compounds observed for the treatment of E. coli were 4d, 4b, 4c, 3d, 6e and 6f (inhibition zones of 26.33 ± 0.577, 21.67 ± 1.528, 21.67 ± 1.528, 19.67 ± 1.528, 17.67 ± 1.155 and 16.67 ± 1.155, respectively). Compounds 3b, 3c, 6a, 6c, and 6g gave moderate results (13.67 ± 1.528, 12.67 ± 1.528, 11.33 ± 0.577, 15.33 ± 1.528 and 12.67 ± 1.528, respectively), while 6b showed no effect. The MIC values against S. aureus ranged from 50 to 3.125 mg, while those against E. coli and K. pneumoniae ranged from 50 to 1562 mg. In vitro, the antibacterial effects were promising. Further research is required to study the in vivo antibacterial effects of these compounds and determine therapeutic doses.

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