In silico prediction of Anti-apoptotic BCL-2 proteins Modulation by Afzelin in MDA-MB-231 Breast cancer cell

2020 ◽  
Vol 13 (2) ◽  
pp. 905
Author(s):  
Eva Rachmi ◽  
Basuki Bambang Purnomo ◽  
Agustina Tri Endharti ◽  
Loeki Enggar Fitri
Keyword(s):  
Breast Cancer ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
In Silico ◽  
In Silico Prediction

Mechanism of apoptotic induction in human breast cancer cell, MCF-7, by an analog of curcumin in comparison with curcumin – An in vitro and in silico approach

2014 ◽  
Vol 210 ◽  
pp. 51-63 ◽  
Author(s):  
Kumaravel Mohankumar ◽  
Sankar Pajaniradje ◽  
Subhashree Sridharan ◽  
Vivek Kumar Singh ◽  
Larance Ronsard ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
In Silico ◽  
Human Breast Cancer ◽  
Human Breast Cancer Cell ◽  
Human Breast ◽  
Apoptotic Induction ◽  
Mcf 7

scholarly journals Deciphering the Oncogenic Role of VPS28 Modulated by miR-491-5p in Breast Cancer Cells Using In Silico and Functional Analysis

2021 ◽  
Vol 8 ◽  
Author(s):  
Wenjie Shi ◽  
Daojun Hu ◽  
Yu Xing ◽  
Rui Zhuo ◽  
Qiufeng Lao ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Cancer Cells ◽  
Cell Lines ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
In Silico ◽  
Breast Cancer Cells ◽  
Breast Cancer Cell Lines ◽  
Biological Functions ◽  
Cancer Tissues

Vacuolar protein sorting–associated protein 28 (VPS28), one of the four cytosolic proteins comprising the endosomal sorting complex required for the transport I (ESCRT-I) component, has been reported to be linked to various cancers. However, less evidence is available regarding the involvement of VPS28 in breast cancer. To this end, this study focused on exploring the function of VPS28 in breast cancer cells using the in silico analysis. VPS28 expression pattern data in breast cancer tissues were collected using the Cancer Genome Atlas (TCGA) and Clinical Proteomic Tumor Analysis Consortium (CPTAC) databases and analyzed to assess the association of VPS28 with breast cancer prognosis. The elevated VPS28 expression was found in breast cancer tissues and was associated with a poor prognosis (p < 0.001). A higher VPS28 expression indicated a short survival duration (HR = 2.43; 95% CI: 1.44–4.1; p < 0.001). The CCLE database showed that VPS28 was expressed in breast cancer cell lines. The upstream targets of VPS28 were identified using the mirDIP, starBase, and TargetScan online tools. The correlation and binding relationship between miR-491-5p and VPS28 was analyzed. VPS28 or miR-491-5p gain and loss of function experiments were performed to verify their potential effect on the biological functions of breast cancer cells. Knockdown of VPS28 was shown to suppress the biological functions and enhance the apoptosis of breast cancer cell lines. Micro RNA-491-5p, identified as a posttranscriptional regulator of VPS28, was downregulated in breast cancer tissues. In contrast to the miR-491-5p inhibitor, the miR-491-5p mimic could suppress the migration, wound healing ability, and proliferation, while accelerating apoptosis. However, co-transfection of VPS28 and miR-491-5p counteracted the effect of the miR-491-5p mimic on breast cancer cell functions. Thus, our in silico analysis demonstrates that miR-491-5p can suppress breast cancer progression by attenuating the expression of VPS28.

scholarly journals Investigating the Anticancer Activity and Characterization of Bioactive Constituents of Moricandia sinaica (Boiss.) Boiss through In Vitro and In Silico Approaches in Triple-Negative Breast Cancer Cell Line

2021 ◽  
Vol 11 (3) ◽  
pp. 1244
Author(s):  
Muhammad Farooq Khan ◽  
Fahd A. Nasr ◽  
Almohannad A. Baabbad ◽  
Ali S. Alqahtani ◽  
Mohammad A. M. Wadaan
Keyword(s):  
Breast Cancer ◽  
Anticancer Activity ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
Triple Negative Breast Cancer ◽  
In Silico ◽  
Triple Negative ◽  
Protein Target ◽  
Crude Extracts ◽  
M Phase

Resistance to chemotherapy and recurrence are major hurdles to treating hormone receptor-negative breast cancer. The crude extract and natural products obtained from medicinal plants are believed to be multitargeted and possess less toxicity as compared to synthetic compounds. The aerial parts and roots of Moricandia sinaica (Boiss.) Boiss were used to prepare the crude extracts in solvents of different polarities. Human breast cancer cell lines (MCF7 and MDA-MB-231), liver carcinoma (HepG2), and nontumorigenic cells of human origin (human umbilical vein endothelial cells (HUVEC)) were treated with a serial dilution of crude extracts obtained from the aerial and roots of Moricandia sinaica (Boiss.) Boiss. The methanol extract of the shoots exhibited a higher level of cytotoxicity against MDA-MB-231 cells than against any other cancer and nontumorigenic cells lines. Six new compounds were identified by gas chromatography–mass spectrophotometry analysis in the shoots extract of Moricandia sinaica (Boiss.) Boiss, and 2-Tridecen-1-ol was one of the major compounds that represent more than 35% of the extract. M-phase inducer phosphases 1 and 2 (CDC 25A and B) were identified as the specific protein target for 2-Tridecen-1-ol by the Swiss protein target prediction tool. In silico molecular docking showed the binding of 2-Tridecen-1-ol with CDC 25 B with a higher binding energy as compared to CDC 25A. The possible molecular mechanism of anticancer activity of Moricandia sinaica (Boiss.) Boiss in MDA-MB-231 breast cancer is through inhibition of M-phase inducer phosphatases 1 and 2 via 2-Tridecen-1-ol. Further investigations in breast cancer models are needed to explore the therapeutic potential of Moricandia sinaica (Boiss.) Boiss and 2-Tridecen-1-ol as an efficient remedy with a possibly less toxic approach to treat triple-negative breast cancer.

scholarly journals Synthesis, Characterization, in silico and in vitro Evaluations of Symmetrical 1,3-Diketones

2020 ◽  
Vol 32 (4) ◽  
pp. 853-864
Author(s):  
V. Porchezhiyan ◽  
D. Kalaivani ◽  
J. Shobana ◽  
S.E. Noorjahan
Keyword(s):  
Breast Cancer ◽  
Binding Affinity ◽  
Cell Lines ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
Mtt Assay ◽  
In Silico ◽  
Cancer Cell Lines ◽  
Breast Cancer Cell Lines

1,3-Dicarbonyl compounds have gained significant importance since they are abundantly available in the natural products and possess myriad biological activities. The new symmetrical 1,3-diketones bearing L-proline, 2-methyl-5-iodobenzoic acid, piperidine-3-carboxylic acid and naphthalene-1-acetic acid moieties were synthesized by coupling reaction of appropriate ketone with N-acyl triazole in the presence of MgBr2·Et2O and DIPEA. The chemical structure of the compounds were confirmed from the spectral data such as 1H, 13C NMR, FT-IR and HRMS. Molecular docking studies were carried out for all the compounds with tumor associated protein tyrosine kinase-6 (PTK6) and inflammatory protein cyclooxygenase-2 (COX2). The in vitro evaluation was carried out using breast cancer cell lines (MTT assay) and HRBC stabilization assays. During in silico studies, the ki values obtained against PTK6 and COX2 for (5a-d) compounds were in the range (-7.5 to -10.6) and (-7.6 to -9.8) kcal/mol, respectively. The compound 5d was selected for MTT assay, since it exhibited the highest binding affinity (-10.6 kcal/mol) against PTK6 and gave IC50 - 2.4 μg/mL against breast cancer cell lines. The HRBC stabilization of all the compounds (5a-5d) were in the range (59.28-93.4) %, with highest stabilization value by 5d, which also displayed higher binding affinity with -7.6 kcal/mol towards COX2. Thus, the synthesized symmetrical 1,3-diketones with suitable functionality can be both anticancer and anti-inflammatory agents.

scholarly journals Potential Use of Compounds from Neem Leaves (Azadirachta indica Juss) as PPARg and ERa Inhibitors to Control Breast Cancer Cell Growth In Silico Model

ALCHEMY ◽  
2020 ◽  
Vol 8 (1) ◽  
pp. 18-22
Author(s):  
Supriyanto Supriyanto ◽  
Muhaimin Rifa'i ◽  
Yunianta Yunianta ◽  
Simon Bambang Widjanarko
Keyword(s):  
Breast Cancer ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
In Silico ◽  
In Silico Analysis ◽  
Cancer Drug ◽  
Breast Cancer Cell Growth ◽  
Neem Leaves

Treatment using herbs is currently growing rapidly. Compounds in herbal plants can cure various degenerative diseases. The study aims to analyze the potency of nimbin, deacetylnimbin, salanin, and deacetylsalanin compounds in the neem leaves extract to inhibit target proteins namely PPARg and ERa. PPARg is the main regulator of the function of adipose tissue microvascular endothelial cells (aMVECs) while ERa is a protein that mediates all estrogen effects and it is important in the growth of prostate and breast cancer. Inhibition of ERa can prevent the proliferation and growth of breast cancer cells by affecting the performance of estrogen which binds to hormonal receptors and causes inhibition of breast cancer cell proliferation. The results of in silico analysis show that deacetylnimbin can inhibit ERa protein. The docking analysis shows that deacetylnimbin has the potential to replace tamoxifen as a breast cancer drug. The other studies such in vitro and in vivo are needed to validate in silico study.

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