scholarly journals Anticancer Potential of Moringa oleifera on BRCA-1 Gene: Systems Biology

2021 ◽  
Vol 15 ◽  
pp. 117793222110107
Author(s):  
Toheeb A Balogun ◽  
Kaosarat D Buliaminu ◽  
Onyeka S Chukwudozie ◽  
Zainab A Tiamiyu ◽  
Taiwo J Idowu
Keyword(s):  
Breast Cancer ◽  
Anticancer Agents ◽  
Active Site ◽  
Moringa Oleifera ◽  
Therapeutic Potential ◽  
Pharmacokinetic Parameters ◽  
Ligand Interaction ◽  
Continuous Increase ◽  
Drug Candidates ◽  
Brca 1

Breast cancer has consistently been a global challenge that is prevalent among women. There is a continuous increase in the high number of women mortality rates because of breast cancer and affecting nations at all modernization levels. Women with high-risk factors, including hereditary, obesity, and menopause, have the possibility of developing breast cancer growth. With the advent of radiotherapy, chemotherapy, hormone therapy, and surgery in breast cancer treatment, breast cancer survivors have increased. Also, the design and development of drugs targeting therapeutic enzymes effectively treat the tumour cells early. However, long-term use of anticancer drugs has been linked to severe side effects. This research aims to develop potential drug candidates from Moringa oleifera, which could serve as anticancer agents. In silico analysis using Schrödinger Molecular Drug Discovery Suite and SWISS ADME was employed to determine the therapeutic potential of phytochemicals from M oleifera against breast cancer via molecular docking, pharmacokinetic parameters, and drug-like properties. The result shows that rutin, vicenin-2, and quercetin-3-O-glucoside have the highest binding energy of −7.522, −6.808, and −6.635 kcal/mol, respectively, in the active site of BRCA-1. The essential amino acids involved in the protein-ligand interaction following active site analysis are ASN 1678, ASN 1774, GLY 1656, LEU 1657, GLN 1779, LYS 1702, SER 1655, PHE 1662, ARG 1699, GLU 1698, and VAL 1654. Thus, we propose that bioactive compounds from M oleifera may be potential novel drug candidates in the treatment of breast cancer.

scholarly journals Anti-cancer Potential of Moringa oleifera on BRCA1 Gene: Systems Biology

2020 ◽  
Author(s):  
Toheeb A. Balogun ◽  
Kaosarat D. Buliaminu ◽  
Onyeka S. Chukwudozie ◽  
Zainab A Tiamiyu
Keyword(s):  
Breast Cancer ◽  
Active Site ◽  
Moringa Oleifera ◽  
Therapeutic Potential ◽  
Brca1 Gene ◽  
Pharmacokinetic Parameters ◽  
Ligand Interaction ◽  
Continuous Increase ◽  
Drug Candidates ◽  
Anti Cancer

ABSTRACTBreast Cancer has always been a global challenge that is prevalent among women. There is a continuous increase in the high number of women mortality rates as a result of breast cancer and affecting countries at all levels of modernization. Women with high-risk factors including hereditary, obesity, and menopause have the possibility of developing breast cancer. With the advent of radiotherapy, chemotherapy, hormone therapy, and surgery in the treatment of breast cancer, there has an increased number of breast cancer survivors. Also, the design and development of drugs targeting therapeutic enzymes are helping to effectively treat the tumor cells at an early stage. However, long term use of anti-cancer drugs has been linked to severe side effects. This research aims to develop potential drug candidates from Moringa oleifera which could serve as anti-cancer agents. In silico analysis using Schrödinger Molecular Drug Discovery Suite and SWISS ADME was employed to determine the therapeutic potential of phytochemicals from M. oleifera against breast cancer via molecular docking, pharmacokinetic parameters, and drug-like properties. The result shows that Rutin, Vicenin-2, and Quercetin-3-O-glucoside have the highest binding energy of −7.522, −6.808, −6.635kcal/mol respectively in the active site of BRCA1. The essential amino acids involved in the protein-ligand interaction following active site analysis are ASN 1678, ASN 1774, GLY 1656, LEU 1657, GLN 1779, LYS 1702, SER 1655, PHE 1662, ARG 1699, GLU 1698, and VAL 1654. Thus, we propose that bioactive compounds from M. oleifera may be potential hit drug candidates against breast cancer.

scholarly journals MDA-MB-231 Breast Cancer Cells Resistant to Pleurocidin-Family Lytic Peptides Are Chemosensitive and Exhibit Reduced Tumor-Forming Capacity

Biomolecules ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 1220
Author(s):  
Ashley L. Hilchie ◽  
Erin E. Gill ◽  
Melanie R. Power Coombs ◽  
Reza Falsafi ◽  
Robert E. W. Hancock ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Cancer Cells ◽  
Cancer Cell ◽  
Breast Cancer Cell ◽  
Anticancer Agents ◽  
Therapeutic Potential ◽  
Cancer Cell Line ◽  
Matrix Composition ◽  
Breast Cancer Cell Lines ◽  
Lytic Peptides

Direct-acting anticancer (DAA) peptides are cytolytic peptides that show promise as novel anticancer agents. DAA peptides bind to anionic molecules that are abundant on cancer cells relative to normal healthy cells, which results in preferential killing of cancer cells. Due to the mechanism by which DAA peptides kill cancer cells, it was thought that resistance would be difficult to achieve. Here, we describe the generation and characterization of two MDA-MB-231 breast cancer cell-line variants with reduced susceptibility to pleurocidin-family and mastoparan DAA peptides. Peptide resistance correlated with deficiencies in peptide binding to cell-surface structures, suggesting that resistance was due to altered composition of the cell membrane. Peptide-resistant MDA-MB-231 cells were phenotypically distinct yet remained susceptible to chemotherapy. Surprisingly, neither of the peptide-resistant breast cancer cell lines was able to establish tumors in immune-deficient mice. Histological analysis and RNA sequencing suggested that tumorigenicity was impacted by alternations in angiogenesis and extracellular matrix composition in the peptide-resistant MDA-MB-231 variants. Collectively, these data further support the therapeutic potential of DAA peptides as adjunctive treatments for cancer.

scholarly journals VIRTUAL SCREENING AND IDENTIFICATION OF PLAUSIBLE NOVEL THERAPEUTIC EGFR INHIBITORS AGAINST BREAST CANCER

2021 ◽  
Vol 9 (4) ◽  
pp. 481-491
Author(s):  
Megana KSNM ◽  
◽  
Suneetha Y ◽  
Keyword(s):  
Breast Cancer ◽  
Virtual Screening ◽  
Anticancer Agents ◽  
Docking Studies ◽  
The Novel ◽  
Drug Candidates ◽  
Promising Target ◽  
Toxic Drug ◽  
Screening And Identification ◽  
Novel Drug

Present days increasing concern about the identification of potential non-toxic drug candidates against several cancers is very important. The current study was carried out to discover the novel phytochemicals as effective anticancer agents against the selected protein (i.e., EGFR), which is a promising target for moderating triple-negative breast cancer (TNBC). Various studies showed that the natural constituents have a strong anti-tumor capacity and inhibiting tumor growth. Here structure-based virtual screening and molecular docking studies have been recognized as rational tactics for the recognition of novel drug candidates against the binding domain of EGFR (PDB code: 3GKW & 5FEE). Furthermore, the drug-likeness, adverse effects, and toxicogenomics effects were assessed with the help of various computational tools. Virtual screening was reported that 4 drug candidates i.e., CID: 65064; CID: 5280443; CID: 440735, and CID: 5280343 showed reliable consequences with fewer side effects and more efficient for the selected proteins. The overall effects indicated that renowned hits could be developed as reference skeletons for novel inhibitors envisaging EGFR to ameliorate TNBC.

Phytochemicals as PI3K/ Akt/ mTOR Inhibitors and Their Role in Breast Cancer Treatment

2020 ◽  
Vol 15 (3) ◽  
pp. 188-199
Author(s):  
Arunaksharan Narayanankutty
Keyword(s):  
Breast Cancer ◽  
Cancer Prevention ◽  
Anticancer Agents ◽  
Breast Cancer Prevention ◽  
Mtor Signaling ◽  
Pi3k Signaling ◽  
Breast Carcinogenesis ◽  
Human Breast ◽  
Drug Candidates

Background: Breast cancer is the predominant form of cancer in women; various cellular pathways are involved in the initiation and progression of breast cancer. Among the various types of breast cancer that differ in their growth factor receptor status, PI3K/Akt signaling is a common pathway where all these converge. Thus, the PI3K signaling is of great interest as a target for breast cancer prevention; however, it is less explored. Objective: The present review is aimed to provide a concise outline of the role of PI3K/Akt/mTOR pathway in breast carcinogenesis and its progression events, including metastasis, drug resistance and stemness. The review emphasizes the role of natural and synthetic inhibitors of PI3K/Akt/m- TOR pathway in breast cancer prevention. Methods: The data were obtained from PubMed/Medline databases, Scopus and Google patent literature. Results: PI3K/Akt/mTOR signaling plays an important role in human breast carcinogenesis; it acts on the initiation and progression events associated with it. Numerous molecules have been isolated and identified as promising drug candidates by targeting the signaling pathway. Results from clinical studies confirm their application in the treatment of human breast cancer alone and in combination with classical chemotherapeutics as well as monoclonal antibodies. Conclusion: PI3K/mTOR signaling blockers have evolved as promising anticancer agents by interfering breast cancer development and progression at various stages. Natural products and bioactive components are emerging as novel inhibitors of PI3K signaling and more research in this area may yield numerous drug candidates.

scholarly journals Shemamruthaa, a Herbal Formulation Induces Apoptosis in Breast Cancer Cells and Inhibits Tumor Progression in Rats

2016 ◽  
Vol 21 (4) ◽  
pp. NP1-NP10 ◽  
Author(s):  
Ayyakkannu Purushothaman ◽  
Elumalai Nandhakumar ◽  
Palanivelu Shanthi ◽  
Thiruvaiyaru Panchanatham Sachidanandam
Keyword(s):  
Breast Cancer ◽  
Tumor Progression ◽  
Cancer Cells ◽  
Anticancer Agents ◽  
High Performance ◽  
Therapeutic Potential ◽  
Gas Chromatography Mass Spectrometry ◽  
Dependent Manner ◽  
Chromatography Analysis ◽  
Herbal Formulation

Phytochemicals present in plants are more effective than their individual constituents in preventing cancer through synergetic effects. From this perspective, Shemamruthaa, a herbal formulation was evaluated with a view to potentiate more intense anticancer property. This study investigates the anticancer activity of Shemamruthaa in breast cancer (MDA-MB 231) cell lines and its cancer therapeutic potential in 7,12-dimethylbenz[a]anthracene induced breast cancer rats. Results of MTT, trypan blue, and apoptotic marker assays suggested that Shemamruthaa can induce cytotoxicity in cancer cells, in a concentration- and time-dependent manner. Oral administration of Shemamruthaa effectively suppressed the tumor progression as evidenced by decrease in tumor volume and modulation of oxidant-antioxidant status and resulted in extended life span. Gas chromatography–mass spectrometry and high-performance liquid chromatography analysis of Shemamruthaa revealed the presence of pyrogallol, 5-hydrxoymethylfurfural, trilinolein, and flavonoids. Finally, we show that Shemamruthaa contains potential anticancer agents acting either singly or in combination against breast cancer cell proliferation.

Dysregulation of HOX as a Potential Therapeutic Target in Breast Cancer

2020 ◽  
Vol 27 ◽  
Author(s):  
Ji-Yeon Lee ◽  
Myoung Hee Kim
Keyword(s):  
Breast Cancer ◽  
Hox Genes ◽  
Therapeutic Potential ◽  
Expression Patterns ◽  
Genome Structure ◽  
Control Cell ◽  
Three Dimensional ◽  
Cellular Processes ◽  
Hox Protein

: HOX genes belong to the highly conserved homeobox superfamily, responsible for the regulation of various cellular processes that control cell homeostasis, from embryogenesis to carcinogenesis. The abnormal expression of HOX genes is observed in various cancers, including breast cancer; they act as oncogenes or as suppressors of cancer, according to context. In this review, we analyze HOX gene expression patterns in breast cancer and examine their relationship, based on the three-dimensional genome structure of the HOX locus. The presence of non-coding RNAs, embedded within the HOX cluster, and the role of these molecules in breast cancer have been reviewed. We further evaluate the characteristic activity of HOX protein in breast cancer and its therapeutic potential.

Nigella sativa and Cancer: A Review Focusing on Breast Cancer, Inhibition of Metastasis and Enhancement of Natural Killer Cell Cytotoxicity

2020 ◽  
Vol 21 (12) ◽  
pp. 1176-1185 ◽  
Author(s):  
Tuğcan Korak ◽  
Emel Ergül ◽  
Ali Sazci
Keyword(s):  
Breast Cancer ◽  
Natural Killer Cells ◽  
Natural Killer ◽  
Therapeutic Potential ◽  
Nigella Sativa ◽  
Killer Cell ◽  
B Cell Lymphoma ◽  
Killer Cells ◽  
Natural Killer Cell Cytotoxicity ◽  
Endothelial Growth Factor

Background: In the last decade, there have been accumulating data that the use of medicinal plants could bring additional benefits to the supportive treatment of various diseases. Nigella sativa (N. sativa, family Ranunculaceae) is one of these plants that has attracted considerable interest. The extracts and seeds of N. sativa and its active component thymoquinone have been studied extensively and the results suggest that N. sativa might carry some therapeutic potential for many diseases, including cancer. Methods: The selection criteria for references were applied through Pubmed with “N. sativa and cancer”, “N. sativa and breast cancer”, “N. sativa and metastasis”, “N. sativa and cytotoxicity of natural killer cells”. The pathway analysis was performed using the PANTHER tool by using five randomly selected N. sativa affected genes (Cyclin D1, P53, p21 protein (Cdc42/Rac) activated kinase 1 (PAK1), B-cell lymphoma 2 (Bcl-2) and vascular endothelial growth factor (VEGF)) in order to elucidate further potentially affected signaling pathways. Results: The aim of this review was to summarize studies regarding the effects of N. sativa in cancer generally, with a focus on breast cancer, its anti-metastatic effects, and how N. sativa modulates the cytotoxicity of Natural Killer cells that play a crucial role in tumor surveillance. Conclusion: In summary, the data suggest that N. sativa might be used for its anti-cancer and antimetastatic properties and as an immune system activator against cancer.

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