Anticancer activities of phenolic compounds from Moringa oleifera leaves: in vitro and in silico mechanistic study

Abstract Background Moringa oleifera is a common vegetable in many countries since ancient times, possesses numerous phenolic compounds having a wide array of biological activities. It possesses anticancer activity that can be used to develop new drugs for treatment of various types of cancers. The current study was conducted to evaluate the composition of phenolic compounds and in vitro and in silico anticancer activities of M. oleifera leaves extracts. The leaves of M. oleifera were subjected to extraction for solvent fraction using n-hexane, chloroform, ethyl acetate, butanol, and aqueous solvents. The solvent fractions were tested for anticancer activity in vitro against Hela cancer cell line and screened for phenolic compounds through reversed-phase high-performance liquid chromatography. The molecular docking approach was employed to check binding conformations of phytochemicals against the target protein. Result The result revealed that all the solvent fractions possess in vitro anticancer activity against Hela cancer cell line. The n-hexane fraction showed a 50% reduction in Hela cancer cell viability at 416 μg mL−1 as compared to control. The extracts of solvent-fraction contained 10 phenolic compounds viz. quercetin, gallic acid, sinapic acid, vanillic acid, 4-hydroxy-3-methoxy benzoic acid, p-coumaric acid, m-coumaric acid, 4-hydroxy-3-methoxy cinnamic acid, caffeic acid, and syringic acid. Molecular docking studies revealed that the ligands bind within the active site of target protein have good binding energy values. Conclusion This study shows that M. oleifera leaves may have the potential to inhibit cancer cell growth and improving human health in addition to food ingredient innovations. Based on in vitro and in silico results, the phytochemicals from M. oleifera leaves can be used as leading drugs to treat cancer. Graphical abstract

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Synthesis, Antibacterial and Anticancer Activities Evaluation of New 4-Thiazolidinone-Indolin-2-One Analogs

Biointerface Research in Applied Chemistry ◽

10.33263/briac126.80948104 ◽

2021 ◽

Vol 12 (6) ◽

pp. 8094-8104

Keyword(s):

Cancer Cells ◽

Cancer Cell ◽

A549 Cells ◽

Cancer Cell Line ◽

Mitochondrial Pathway ◽

Knoevenagel Reaction ◽

Anticancer Activities ◽

Dapi Staining ◽

Mcf 7

A series of novel thiazolidinone-isatin hybrids have been synthesized through the Knoevenagel reaction of isatin derivatives with synthesized thiazolidinone scaffolds and then evaluated for their in vitro antibacterial effects on Escherichia coli (E.coli) and Staphylococcus aureus (S.aureus). Cytotoxic effects of the compounds on non-small-cell lung cancer cells (A549 cells), breast epithelial cancer cell line (MCF-7), and prostate cancer cells (PC3 cells) were investigated. Among compounds tested for antibacterial activity, S. aureus was susceptible to compound 7d. The most potent compounds against A549, MCF-7, and PC3 tumor cells were found to be 7g. DAPI staining of all cancer cell lines treated with compound 7g, associated with cell death. We finally confirmed that apoptosis occurred in A549 cells by up-regulated Bax expression and down-regulated Bcl-2 expression from the mitochondrial pathway of apoptosis by using the quantitative reverse transcription-polymerase chain reaction (qRT-PCR) method. Our findings suggested that compound 7g may be a good target in designing cancer therapy strategies.

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Jaceidin Flavonoid Isolated from Chiliadenus montanus Attenuates Tumor Progression in Mice via VEGF Inhibition: In Vivo and In Silico Studies

Plants ◽

10.3390/plants9081031 ◽

2020 ◽

Vol 9 (8) ◽

pp. 1031 ◽

Cited By ~ 1

Author(s):

Sameh S. Elhady ◽

Enas E. Eltamany ◽

Amera E. Shaaban ◽

Alaa A. Bagalagel ◽

Yosra A. Muhammad ◽

...

Keyword(s):

Cell Line ◽

Cancer Cell ◽

In Silico ◽

Cancer Cell Line ◽

Control Group ◽

Phytochemical Study ◽

Aerial Parts ◽

In Silico Studies

Phytochemical study of Chiliadenus montanus aerial parts afforded six compounds; Intermedeol (1), 5α-hydroperoxy-β-eudesmol (2), 5,7-dihydroxy-3,3’,4’-trimethoxyflavone (3), 5,7,4’-trihydroxy-3,6,3’-trimethoxyflavone (jaceidin) (4), eudesm-11,13-ene-1β,4β,7α-triol (5) and 1β,4β,7β,11-tetrahydroxyeudesmane (6). These compounds were identified based on their NMR spectral data. The isolated compounds were tested for their cytotoxicity against liver cancer cell line (HepG2) and breast cancer cell line (MCF-7). Jaceidin flavonoid (4) exhibited the highest cytotoxic effect in vitro. Therefore, both of jaceidin and C. montanus extract were evaluated for their in vivo anti-tumor activity against Ehrlich’s ascites carcinoma (EAC). Compared to control group, jaceidin and C. montanus extract decreased the tumor weight, improved the histological picture of tumor cells, lowered the levels of VEGF and ameliorate the oxidative stress. Molecular docking and in silico studies suggested that jaceidin was a selective inhibitor of VEGF-mediated angiogenesis with excellent membrane permeability and oral bioavailability.

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Synthesis and Anticancer Activity of Dimeric Polyether Ionophores

Biomolecules ◽

10.3390/biom10071039 ◽

2020 ◽

Vol 10 (7) ◽

pp. 1039

Author(s):

Michał Sulik ◽

Ewa Maj ◽

Joanna Wietrzyk ◽

Adam Huczyński ◽

Michał Antoszczak

Keyword(s):

Anticancer Activity ◽

Cell Line ◽

Cancer Cell ◽

Parent Compound ◽

Colon Adenocarcinoma ◽

Cancer Cell Line ◽

Functional Evaluation ◽

Selective Targeting ◽

Synthetic Approaches

Polyether ionophores represent a group of natural lipid-soluble biomolecules with a broad spectrum of bioactivity, ranging from antibacterial to anticancer activity. Three seem to be particularly interesting in this context, namely lasalocid acid, monensin, and salinomycin, as they are able to selectively target cancer cells of various origin including cancer stem cells. Due to their potent biological activity and abundant availability, some research groups around the world have successfully followed semi-synthetic approaches to generate original derivatives of ionophores. However, a definitely less explored avenue is the synthesis and functional evaluation of their multivalent structures. Thus, in this paper, we describe the synthetic access to a series of original homo- and heterodimers of polyether ionophores, in which (i) two salinomycin molecules are joined through triazole linkers, or (ii) salinomycin is combined with lasalocid acid, monensin, or betulinic acid partners to form ‘mixed’ dimeric structures. Of note, all 11 products were tested in vitro for their antiproliferative activity against a panel of six cancer cell lines including the doxorubicin resistant colon adenocarcinoma LoVo/DX cell line; five dimers (14–15, 17–18 and 22) were identified to be more potent than the reference agents (i.e., both parent compound(s) and commonly used cytostatic drugs) in selective targeting of various types of cancer. Dimers 16 and 21 were also found to effectively overcome the resistance of the LoVo/DX cancer cell line.

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Novel Pyrazolyl Benzoxazole Conjugates: Design, Synthesis, Molecular Docking Studies and in vitro Anticancer Activities

Letters in Organic Chemistry ◽

10.2174/1570178615666181022141919 ◽

2019 ◽

Vol 16 (8) ◽

pp. 619-626

Author(s):

Arunkumar Thiriveedhi ◽

Ratnakaram Venkata Nadh ◽

Navuluri Srinivasu ◽

Narayana Murthy Ganta

Keyword(s):

Molecular Docking ◽

Anticancer Activity ◽

Cell Lines ◽

Cancer Cell ◽

Docking Studies ◽

Anticancer Activities ◽

Molecular Docking Studies ◽

Hybrid Molecules ◽

Mcf 7

Nowadays, hybrid drugs have gained a significant role in the treatment of different health problems. Most of the hybrid molecules with different heterocyclic moieties were proved to be potent anti-tumor agents in cancer chemotherapy. Hence, the present study is aimed at the evaluation of in vitro anticancer activity of novel hybrid molecules (pyrazolyl benzoxazole conjugates) and to investigate their anticancer activity by molecular docking studies. Designed, synthesized and characterized the novel pyrazolyl benzoxazole conjugates. Anticancer activity of these compounds was determined by SRB assay. Then molecular docking studies were carried out against proto-oncogene tyrosine-protein kinase (ATP-Src, PDB: 2BDF), a putative target for cancer. All the synthesized compound derivatives were evaluated against MCF-7, KB, Hop62 and A549 cancer cell lines. Compounds 9b and 9c exhibited excellent anticancer activities with GI50 values of <0.1 µM against MCF-7 and A549 cell lines. Compound 9e exhibited good antitumor activity on MCF-7 and A-549 with GI50 values of 0.12 µM and 0.19 µM respectively. Compound 9g showed better anticancer activity on A-549 cancer cell line with GI50 of 0.34 µM. The two-hybrid molecules 9b and 9c are found to be comparably potent with the standard drug doxorubicin and may act as drug lead compounds in medicinal chemistry aspect. The present docking investigation proved that having benzoxazole of compound 9c at the position of benzofuran of reference compound (N-acetyl pyrazoline derivative) might be valid for contributing to anti-cancer activity.

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Studies on the in vitro anticancer activity of tabernaemontana divaricata extract against colon Cancer cell line

International Journal of Pharma and Bio Sciences ◽

10.22376/ijpbs.2017.8.2.b316-323 ◽

2017 ◽

Vol 8 (2) ◽

Author(s):

S. SUBHA SHINI ◽

M. PANDIMA DEVI

Keyword(s):

Colon Cancer ◽

Anticancer Activity ◽

Cell Line ◽

Cancer Cell ◽

Cancer Cell Line ◽

Colon Cancer Cell Line ◽

Colon Cancer Cell ◽

Tabernaemontana Divaricata

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Bio-fabrication of silver nanoparticles by phycocyanin, characterization, in vitro anticancer activity against breast cancer cell line and in vivo cytotxicity

Scientific Reports ◽

10.1038/s41598-017-11121-3 ◽

2017 ◽

Vol 7 (1) ◽

Cited By ~ 49

Author(s):

Noura El-Ahmady El-Naggar ◽

Mervat H. Hussein ◽

Asmaa Atallah El-Sawah

Keyword(s):

Breast Cancer ◽

Silver Nanoparticles ◽

Anticancer Activity ◽

Cell Line ◽

Cancer Cell ◽

Breast Cancer Cell ◽

Breast Cancer Cell Line ◽

Cancer Cell Line

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Amine Containing Analogs of Sulindac for Cancer Prevention

The Open Medicinal Chemistry Journal ◽

10.2174/1874104501812010001 ◽

2018 ◽

Vol 12 (1) ◽

pp. 1-12

Author(s):

Bini Mathew ◽

Judith V. Hobrath ◽

Michele C. Connelly ◽

R. Kiplin Guy ◽

Robert C. Reynolds

Keyword(s):

Cancer Cell ◽

Cancer Cell Line ◽

Colorectal Polyps ◽

Anticancer Activities ◽

Design And Optimization ◽

Sulindac Sulfide ◽

Inflammatory Drugs ◽

Nanomolar Range

Background:Sulindac belongs to the chemically diverse family of Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) that effectively prevent adenomatous colorectal polyps and colon cancer, especially in patients with familial adenomatous polyposis. Sulindac sulfide amide (SSA), an amide analog of sulindac sulfide, shows insignificant COX-related activity and toxicity while enhancing anticancer activityin vitroand demonstratingin vivoxenograft activity.Objective:Develop structure-activity relationships in the sulindac amine series and identify analogs with promising anticancer activities.Method:A series of sulindac amine analogs were designed and synthesized and then further modified in a “libraries from libraries” approach to produce amide, sulfonamide and N,N-disubstituted sulindac amine sub-libraries. All analogs were screened against three cancer cell lines (prostate, colon and breast).Results:Several active compounds were identifiedviain vitrocancer cell line screening with the most potent compound (26) in the nanomolar range.Conclusion:Compound26and analogs showing the most potent inhibitory activity may be considered for further design and optimization efforts as anticancer hit scaffolds.

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Anticolon Cancer Properties of Pyrazole Derivatives Acting through Xanthine Oxidase Inhibition

Journal of Oncology ◽

10.1155/2021/5691982 ◽

2021 ◽

Vol 2021 ◽

pp. 1-5

Author(s):

Abdulrhman Alsayari ◽

Yahya I. Asiri ◽

Abdullatif Bin Muhsinah ◽

Mohd. Zaheen Hassan

Keyword(s):

Xanthine Oxidase ◽

Cancer Cell ◽

Anticancer Agents ◽

Cancer Cell Line ◽

Human Colon ◽

Colon Cancer Cell Line ◽

Pyrazole Derivatives ◽

Anticancer Activities ◽

Human Colon Cancer

Background. Pyrazoles are an interesting class of compounds showing potent anticancer activities. Our previous studies have demonstrated the potent anticancer activity of pyrazole analogues. Therefore, we focused on developing anticancer agents through structure optimization of the pyrazolyl lead molecule. Methods. The pyrazole derivatives were prepared by the appropriate synthetic protocols. The antiproliferative activities were evaluated using a sulforhodamine B assay against three cancer cell lines. In vitro and in silico molecular docking studies employing xanthine oxidase were used to explore the mechanism by which pyrazole derivatives exert anticancer effects. Results. One of the pyrazole derivatives demonstrated the greatest promise as an anticancer agent against the human colon cancer cell line (IC50 4.2 μM), with a potent xanthine oxidase inhibitory activity (IC50 0.83 μM). Conclusion. In summary, our findings suggest that these pyrazolyl analogues containing a pyridine nucleus could serve as a promising lead molecule in the development of novel anticancer agents.

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