scholarly journals Two Peptides from Soy β-Conglycinin Induce a Hypocholesterolemic Effect in HepG2 Cells by a Statin-Like Mechanism: Comparative in Vitro and in Silico Modeling Studies

2015 ◽  
Vol 63 (36) ◽  
pp. 7945-7951 ◽  
Author(s):  
Carmen Lammi ◽  
Chiara Zanoni ◽  
Anna Arnoldi ◽  
Giulio Vistoli
Keyword(s):  
In Silico ◽  
Hepg2 Cells ◽  
Hypocholesterolemic Effect ◽  
Modeling Studies ◽  
In Silico Modeling

scholarly journals Natural compounds as angiogenic enzyme thymidine phosphorylase inhibitors: In vitro biochemical inhibition, mechanistic, and in silico modeling studies

PLoS ONE ◽  
2019 ◽  
Vol 14 (11) ◽  
pp. e0225056
Author(s):  
Sumaira Javaid ◽  
Muniza Shaikh ◽  
Narjis Fatima ◽  
M. Iqbal Choudhary
Keyword(s):  
In Silico ◽  
Thymidine Phosphorylase ◽  
Natural Compounds ◽  
Modeling Studies ◽  
In Silico Modeling

ERRATUM: "In silico modeling and in vitro activity of vitexin and isovitexin against SGLT2"

2020 ◽  
Vol 19 (05) ◽  
pp. 2092001
Author(s):  
Yongheng Shi ◽  
Fancui Meng ◽  
Jiping Liu ◽  
Bin Wang
Keyword(s):  
In Silico ◽  
Vitro Activity ◽  
In Vitro Activity ◽  
In Silico Modeling

In vitro and in silico modeling of endovascular stroke treatments for acute ischemic stroke

2021 ◽  
pp. 110693
Author(s):  
Giulia Luraghi ◽  
Rachel M. E. Cahalane ◽  
Emma van de Ven ◽  
Serena Overschie ◽  
Frank J. H. Gijsen ◽  
...  
Keyword(s):  
Ischemic Stroke ◽  
Acute Ischemic Stroke ◽  
In Silico ◽  
In Silico Modeling

Novel gold and silver-Sarcophine complexes as antitumor agents against MCF7 and HepG2 cells: Synthesis, characterization, in Silico, in Vitro and docking studies

2019 ◽  
Vol 273 ◽  
pp. 559-575 ◽  
Author(s):  
Adel S. Orabi ◽  
Kholoud M.M. Abou El-Nour ◽  
Safwat A. Ahmed ◽  
Abdullah I. El-Falouji
Keyword(s):  
In Silico ◽  
Hepg2 Cells ◽  
Antitumor Agents ◽  
Docking Studies

From in vitro to in silico: Modeling and recombinant production of DT-Diaphorase enzyme

2020 ◽  
Vol 143 ◽  
pp. 213-223 ◽  
Author(s):  
Mahdiye Zaboli ◽  
Maryam Zaboli ◽  
Masoud Torkzadeh-Mahani
Keyword(s):  
In Silico ◽  
Recombinant Production ◽  
In Silico Modeling ◽  
Dt Diaphorase

scholarly journals In vitro and in silico modeling of perfluoroalkyl substances mixture toxicity in an amphibian fibroblast cell line

Chemosphere ◽  
2019 ◽  
Vol 233 ◽  
pp. 25-33 ◽  
Author(s):  
Gary Hoover ◽  
Supratik Kar ◽  
Samuel Guffey ◽  
Jerzy Leszczynski ◽  
Maria S. Sepúlveda
Keyword(s):  
Cell Line ◽  
In Silico ◽  
Mixture Toxicity ◽  
Fibroblast Cell ◽  
Perfluoroalkyl Substances ◽  
Fibroblast Cell Line ◽  
In Silico Modeling

scholarly journals Evaluation of 2-Thioxoimadazolidin-4-One Derivatives as Potent Anti-Cancer Agents through Apoptosis Induction and Antioxidant Activation: In Vitro and In Vivo Approaches

Molecules ◽  
2021 ◽  
Vol 27 (1) ◽  
pp. 83
Author(s):  
Mohamed S. Nafie ◽  
Ahmed I. Khodair ◽  
Hebat Allah Y. Hassan ◽  
Noha M. Abd El-Fadeal ◽  
Hanin A. Bogari ◽  
...  
Keyword(s):  
Cell Cycle ◽  
In Silico ◽  
Hepg2 Cells ◽  
Flow Cytometric Analysis ◽  
Apoptosis Induction ◽  
Rt Pcr ◽  
Anti Cancer ◽  
Ic50 Values

Background: Hepatocellular carcinoma (HCC) is one of the most widespread malignancies and is reported as the fourth most prevalent cause of cancer deaths worldwide. Therefore, we aimed to investigate the probable mechanistic cytotoxic effect of the promising 2-thioxoimidazolidin-4-one derivative on liver cancer cells using in vitro and in vivo approaches. The compounds were tested for the in vitro cytotoxic activity using MTT assay, and the promising compound was tested in colony forming unit assay, flow cytometric analysis, RT-PCR, Western blotting, in vivo using SEC-carcinoma and in silico to highlight the virtual mechanism of action. Both compounds 4 and 2 performed cytotoxic effects against HepG2 cells with IC50 values of 0.017 and 0.18 μM, respectively, compared to Staurosporine and 5-Fu as reference drugs with IC50 values of 5.07 and 5.18 µM, respectively. Compound 4 treatment revealed apoptosis induction by 19.35-fold (11.42% compared to 0.59% in control), arresting the cell cycle at G2/M phase. Moreover, studying gene expression that plays critical roles in cell cycle and apoptosis by RT-PCR demonstrated that compound 4 enhances the expression of the pro-apoptotic genes p53, PUMA, and Caspase 3, 8, and 9, and impedes the anti-apoptotic Bcl-2 gene in the HepG2 cells. It can also inhibit the PI3K/AKT pathway at both gene and protein levels, which was reinforced by the in silico predictions of the molecular docking simulations towards the PI3K/AKT proteins. Finally, in vivo study verified that compound 4 has a promising anti-cancer activity through activating antioxidant levels (CAT, SOD and GSH) and ameliorating hematological, biochemical, and histopathological findings.

Capsaicin-loaded solid lipid nanoparticles: design, biodistribution, in silico modeling and in vitro cytotoxicity evaluation

2020 ◽  
Vol 32 (9) ◽  
pp. 095101
Author(s):  
Selvaraj Kunjiappan ◽  
Murugesan Sankaranarayanan ◽  
Banoth Karan Kumar ◽  
Parasuraman Pavadai ◽  
Ewa Babkiewicz ◽  
...  
Keyword(s):  
Solid Lipid Nanoparticles ◽  
In Silico ◽  
Lipid Nanoparticles ◽  
In Vitro Cytotoxicity ◽  
Solid Lipid ◽  
In Silico Modeling
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