Synthesis, Structural Studies, and Anticancer Properties of [CuBr(PPh3)2(4,6-Dimethyl-2-Thiopyrimidine-κS]

CuBr(PPh3)2(4,6-dimethylpyrimidine-2-thione) (Cu-L) was synthesized by stirring CuBr(PPh3)3 and 4,6-dimethylpyrimidine-2-thione in dichloromethane. The crystal structure of Cu-L was obtained, and indicated that the complex adopts a distorted tetrahedral structure with several intramolecular hydrogen bonds. Moreover, a centrosymmetric dimer is formed by the intermolecular hydrogen bonding of the bromine acceptor created by symmetry operation 1−x, 1−y, 1−z to the methyl group (D3 = C42) of the pyrimidine–thione ligand. HSA-binding of Cu-L and its ligand were evaluated, revealing that Cu-L binds to HSA differently than its ligand. The HSA-bindings were modeled by molecular docking, which suggested that Cu-L binds to the II A domain while L binds between the I B and II A domains. Anticancer activities toward OVCAR-3 and HeLa cell lines were tested and indicated the significance of the copper center in enhancing the cytotoxic effect; negligible toxicities for L and Cu-L were observed towards a non-cancer cell line. The current study highlights the potential of copper(I)-phosphine complexes containing thione ligands as therapeutic agents.

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Synthesis of Novel and Potential Antimicrobial, Antioxidant and Anticancer Chalcones and Dihydropyrazoles Bearing Isoxazole Scaffold

Proceedings ◽

10.3390/ecsoc-23-06476 ◽

2020 ◽

Vol 41 (1) ◽

pp. 16

Author(s):

Afzal Shaik ◽

Palleapati Kishor ◽

Venkata Kancharlapalli

Keyword(s):

Antioxidant Activities ◽

Biological Activities ◽

Cancer Cell Line ◽

Prostate Cancer Cell Line ◽

Antifungal Compound ◽

Anticancer Activities ◽

Anticancer Properties ◽

Structure Activity ◽

Normal Human Cell ◽

Normal Human

A series of isoxazole based (E)-1-(isoxazole-5-yl)-3-(substituted phenyl)-prop-2-en-1-ones (chalcones, 3a-3o) and 3-(isoxazol-5-yl)-5-(substituted phenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide (dihydropyrazoles, 4a-4o) were synthesized, characterized and evaluated for their antimicrobial, antioxidant and anticancer properties. Chalcones exhibited excellent antibacterial and antioxidant activities whereas the dihydropyrazoles shown superior antifungal and anticancer activities. The compound 3l containing 3,4,5-trimethoxy phenyl ring showed the potent antibacterial activity (MIC = 1 µg/mL) as well as the antioxidant activity (IC50 = 5 µg/mL) whereas the dihydropyrazole, 4o (MIC = 0.5 µg/mL) bearing the 2-chloro-3,4-dimethoxyphenyl was the potent antifungal compound identified. The dihydropyrazoles 4n and 4h possessing 2-fluoro-3,4-dimethoxyphenyl and 3,4-dimethoxyphenyl substituents exhibited potent anticancer activity against prostate cancer cell line (DU-145) with MIC 2 and 4 µg/mL respectively. The structure activity relationships had shown that there is a marked influence of both electron withdrawing halogens and electron releasing methoxyl groups on the above biological activities. All the compounds were evaluated for toxicity on normal human cell lines (LO2) and found to be non-toxic. These studies could help to synthesize, explore and identify new isoxazole containing leads for antimicrobial, antioxidant and anticancer properties.

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DFT and Molecular Docking Investigation of Potential Anticancer Properties of Some Flavonoids

The Journal of Pure and Applied Chemistry Research ◽

10.21776/ub.jpacr.2019.008.03.485 ◽

2019 ◽

Vol 8 (3) ◽

pp. 225-231

Author(s):

Ehimen Annastasia ERAZUA ◽

◽

Babatunde Benjamin ADELEKE ◽

Keyword(s):

Molecular Docking ◽

Density Functional ◽

Molecular Descriptor ◽

Cancer Cell Line ◽

Anticancer Activities ◽

Functional Theory ◽

Discovery Studio ◽

Anticancer Properties ◽

Novel Drugs ◽

Docking Approach

There is a continuous need to discover and obtain more efficient drug-like molecule to suppress cancer in human being. Recently researchers are using molecular docking technique to improve the understanding of the interaction between drug and receptor, in other to obtain novel drugs for more efficient usage. Anticancer activities of some selected flavonoids were studied using quantum chemical method through Density Functional Theory (DFT) and molecular docking approach. These Flavoniods were docked against breast cancer cell line (3s7s) using Autodock tool, AutoDockVina as docking tools and Biovia Discovery Studio 2017 for post docking analysis. The binding affinity obtained was used to correlate the inhibitory activity of these flavoniods with their calculated molecular descriptors. The obtained binding energy showed that quercetin has the highest inhibition efficiency hence it has the highest ability to inhibit 3s7s than other studied compounds. It was observed that some molecular descriptor such as band gap, dipole moment, logP and EHOMO, were significant to the inhibiting ability of quercetin in the active site of the protein.

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ID2010 Cytotoxicity of aqueous and ethanolic bark extracts of Pithecellobium dulce against human carcinoma cells

Biomedical Research and Therapy ◽

10.15419/bmrat.v4is.253 ◽

2017 ◽

Vol 4 (S) ◽

pp. 44

Author(s):

Shella Mae Jalique

Keyword(s):

Cancer Cell ◽

Human Cancer ◽

Cancer Cell Line ◽

Carcinoma Cells ◽

Anticancer Activities ◽

Human Carcinoma ◽

Human Cancer Cell Lines ◽

Anticancer Properties ◽

Hct 116 ◽

Ethanol Extracts

Cancer cases continue to increase and kill humans. In this paper, we report a study based on anticancer properties of the aqueous and ethanolic bark extracts of Pithecellobium dulce. Anticancer activities were assayed with standard MTT colorimetric procedure against three human cancer cell lines namely breast (MCF-7), colon (HCT-116), and hepatocellular (HepG2) in different concentrations. The aqueous extract of the plant revealed the highest toxicity on hepatocellular carcinoma (HepG2) cancer cell line with cell viability of 1.71 percent. On the other hand, its ethanol extracts has the highest toxicity on colon carcinoma (HCT-116) with a percent viability of 6.05 percent. Based on the results, the bark of the plant can be used to prepare anticancer drug with proper standardization methods

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SEAWEED EXTRACTS EXHIBIT ANTICANCER ACTIVITY AGAINST HeLa CELL LINES

International Journal of Current Pharmaceutical Research ◽

10.22159/ijcpr.2017v9i1.16632 ◽

2016 ◽

Vol 9 (1) ◽

pp. 114 ◽

Cited By ~ 4

Author(s):

Ashwini S. ◽

Suresh Babut V. ◽

Saritha . ◽

Manjula Shantara Shantaram

Keyword(s):

Anticancer Activity ◽

Potential Candidate ◽

Anticancer Activities ◽

Vitro Assay ◽

Anticancer Properties ◽

Seaweed Extracts ◽

Hela Cell Lines ◽

Ic50 Value ◽

Ethanol Extracts

Objective: This study was conducted to examine the anticancer activities in the extracts of marine seaweeds Gracilariacorticata.Methods: The acetone, chloroform, ethanol, methanol and aqueous extracts of collected seaweeds were tested for their anticancer properties in vitro against HeLa cancer cell lines.Results: The anticancer activity of the seaweed extracts was observed at 24hours, 48 hours and 72 h in which chloroform and ethanol extracts of G. corticata showed a greater activity with an IC50 value of 341.82 µg/ml and 244.7 µg/ml respectively for 48hours. P-values were determined by two-way analysis of variance (ANOVA). The morphology of the treated cells showed a great variation when compared to the control cells. Thus, the in vitro assay indicates that the extracts of seaweeds are the significant source of a noble anticancer agent.Conclusion: This study also infers that G. corticata could be a potential candidate for cancer therapy in the near future.

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Chemical Composition, Antioxidant, Anticancer Properties and Toxicity Evaluation of Leaf Essential Oil of Cupressus sempervirens

Notulae Botanicae Horti Agrobotanici Cluj-Napoca ◽

10.15835/nbha43210070 ◽

2015 ◽

Vol 43 (2) ◽

pp. 320-326 ◽

Cited By ~ 5

Author(s):

Sayed A. FAYED

Keyword(s):

Essential Oil ◽

Cell Lines ◽

Leukemia Cell ◽

Cancer Cell Line ◽

Anticancer Activities ◽

Cupressus Sempervirens ◽

Anticancer Properties ◽

Leukemia Cell Lines

The essential oil isolated by hydro-distillation from Cupressus sempervirens (Cypress) leaves was analysed by GC-MS and tested for antioxidant and in vitro as well as in vivo anticancer activities. In addition, the toxicity effect of the essential oil was studied using normal Swiss mice. Eighteen components of Cypress essential oil were identified and the main essential oil components were Î±-pinene (29.21%), Î´3-carene (18.92%), Î±-cedrol (12.25%), Î±-terpinolene (7.66%) and limonene (5.50%). Cupressus sempervirens essential oil was able to reduce the stable, purple-colored radical DPPH into yellow-colored DPPH reaching 50% of reduction with IC50 value = 290.09 Î¼g mL-1. The in vitro anticancer activity of the essential oil was studied against two human promyelocytic leukemia cell lines (HL-60 and NB4) and experimental animals model cancer cell line (EACC). Cypress essential oil exerted the highest cytotoxic activity with a LC50 of 333.79 Âµg mL-1 against NB4 followed by HL-60 and EACC cell lines (LC50 of 365.41, and 372.43 Âµg mL-1, respectively). Regarding in vivo anticancer study, pre-initiation treatment with the essential oil was more effective than initiation and post-initiation treatments respectively on the tumor (EACC) transplanted female mice (increase lifespan (%), decrease total EACC number and increase dead cells). In toxicity study, serum urea, transaminases and lactate dehydrogenase were increased. The results obtained from this study showed that the Cypress essential oil possesses antioxidant and anticancer properties, taking into consideration its mild toxicity.

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A Novel Triazole Derivative Drug Presenting In Vitro and In Vivo Anticancer Properties

Current Topics in Medicinal Chemistry ◽

10.2174/1568026618666180917100640 ◽

2018 ◽

Vol 18 (17) ◽

pp. 1483-1493

Author(s):

Ricardo Imbroisi Filho ◽

Daniel T.G. Gonzaga ◽

Thainá M. Demaria ◽

João G.B. Leandro ◽

Dora C.S. Costa ◽

...

Keyword(s):

Breast Cancer ◽

Cancer Cells ◽

Cell Line ◽

Cancer Cell ◽

Cancer Cell Line ◽

Hepatic Function ◽

Anticancer Properties ◽

Mcf 7

Background: Cancer is a major cause of death worldwide, despite many different drugs available to treat the disease. This high mortality rate is largely due to the complexity of the disease, which results from several genetic and epigenetic changes. Therefore, researchers are constantly searching for novel drugs that can target different and multiple aspects of cancer. Experimental: After a screening, we selected one novel molecule, out of ninety-four triazole derivatives, that strongly affects the viability and proliferation of the human breast cancer cell line MCF-7, with minimal effects on non-cancer cells. The drug, named DAN94, induced a dose-dependent decrease in MCF-7 cells viability, with an IC50 of 3.2 ± 0.2 µM. Additionally, DAN94 interfered with mitochondria metabolism promoting reactive oxygen species production, triggering apoptosis and arresting the cancer cells on G1/G0 phase of cell cycle, inhibiting cell proliferation. These effects are not observed when the drug was tested in the non-cancer cell line MCF10A. Using a mouse model with xenograft tumor implants, the drug preventing tumor growth presented no toxicity for the animal and without altering biochemical markers of hepatic function. Results and Conclusion: The novel drug DAN94 is selective for cancer cells, targeting the mitochondrial metabolism, which culminates in the cancer cell death. In the end, DAN94 has been shown to be a promising drug for controlling breast cancer with minimal undesirable effects.

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Synthesis and Antibacterial / Anticancer Activities of Compounds Containing Pyrazole Ring Linked to Piperazines

Current Bioactive Compounds ◽

10.2174/1573407215666190111124513 ◽

2020 ◽

Vol 16 (4) ◽

pp. 419-431

Author(s):

Kishore K. Valluri ◽

Tejeswara R. Allaka ◽

IV Kasi Viswanath ◽

Nagaraju PVVS

Keyword(s):

Cell Line ◽

Cancer Cell ◽

Anticancer Agents ◽

Cancer Cell Line ◽

Pyrazole Ring ◽

Therapeutic Effects ◽

Anticancer Activities ◽

Human Colon Cancer ◽

Parent Molecule ◽

Wide Range

Background: Many pyrazole piperazine derivatives are known to exhibit a wide range, thus being attractive for the drug design and synthesis of interesting class of widely studied heterocyclic compounds. It is therefore necessary to devote continuing effort for the identification and development of New Chemical Entities (NCEs) as potential antibacterial and anticancer agents to address serious health problems. Methods: A series of new compounds containing pyrazole ring linked to a piperazine hydrochloride moiety were synthesized and screened for their antibacterial activity, cytotoxicity of novel scaffolds are described by variation in therapeutic effects of parent molecule. The structure variants were characterized by using a blend of spectroscopic 1H NMR, 13C NMR, IR, Mass and chromatographic techniques. Results: When tested for in vitro antibacterial and anticancer activities, several of these compounds showed good activities. The target compounds 9b, 9a and 9e exhibited a high degree of anticancer activity against human colon cancer cell line Caco-2 and human breast cancer cell line MDAMB231. Further, 9a, 9b, 9d, and 9h showed better activity towards four medically relevant organisms; Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Klebsiella Species compared to CPF. In the present investigation, cheminfomatics tools Molinspiration, 2003 and MolSoft, 2007 for the prediction of insilico molecular properties and drug likeness for the target compounds 9a-h was evaluated and positive results were observed. Conclusion: Our study revealed that the molecular framework presented here could be a useful template for the identification of novel small molecules as promising antibacterial/ anticancer agents.

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Synthesis and characterization of a new series of thiadiazole derivatives as potential anticancer agents

Heterocyclic Communications ◽

10.1515/hc-2020-0002 ◽

2020 ◽

Vol 26 (1) ◽

pp. 6-13 ◽

Cited By ~ 1

Author(s):

Ulviye Acar Çevik ◽

Derya Osmaniye ◽

Serkan Levent ◽

Begüm Nurpelin Sağlik ◽

Betül Kaya Çavuşoğlu ◽

...

Keyword(s):

Anticancer Agents ◽

Biological Activities ◽

Cancer Cell Line ◽

Chemotherapeutic Agents ◽

Anticancer Activities ◽

Normal Tissues ◽

H Nmr ◽

Wide Range ◽

Thiadiazole Derivatives ◽

Low Efficiency

AbstractCancer is one of the most common causes of death in the world. Despite the importance of combating cancer in healthcare systems and research centers, toxicity in normal tissues and the low efficiency of anticancer drugs are major problems in chemotherapy. Nowadays the aim of many medical research projects is to discover new safer and more effective anticancer agents. 1,3,4-Thiadiazole compounds are important fragments in medicinal chemistry because of their wide range of biological activities, including anticancer activities. The aim of this study was to determine the capacity of newly synthesized 1,3,4-thiadiazole compounds as chemotherapeutic agents. The structures of the obtained compounds were elucidated using 1H-NMR, 13C-NMR and mass spectrometry. Although the thiadiazole derivatives did not prove to be significantly cytotoxic to the tumour tissue cultures, compound 4i showed activity against the C6 rat brain cancer cell line (IC50 0.097 mM) at the tested concentrations.

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Anti-Inflammatory and Anticancer Properties of Bioactive Compounds from Sesamum indicum L.—A Review

Molecules ◽

10.3390/molecules24244426 ◽

2019 ◽

Vol 24 (24) ◽

pp. 4426 ◽

Cited By ~ 8

Author(s):

Ming-Shun Wu ◽

Levent Bless B. Aquino ◽

Marjette Ylreb U. Barbaza ◽

Chieh-Lun Hsieh ◽

Kathlia A. De Castro-Cruz ◽

...

Keyword(s):

Chronic Diseases ◽

Inflammatory Diseases ◽

Antioxidant Properties ◽

Sesamum Indicum ◽

The Body ◽

Anticancer Activities ◽

Anticancer Properties ◽

Pharmacological Significance ◽

Anti Inflammatory ◽

Natural Medicines

The use of foodstuff as natural medicines has already been established through studies demonstrating the pharmacological activities that they exhibit. Knowing the nutritional and pharmacological significance of foods enables the understanding of their role against several diseases. Among the foods that can potentially be considered as medicine, is sesame or Sesamum indicum L., which is part of the Pedaliaceae family and is composed of its lignans such as sesamin, sesamol, sesaminol and sesamolin. Its lignans have been widely studied and are known to possess antiaging, anticancer, antidiabetes, anti-inflammatory and antioxidant properties. Modern chronic diseases, which can transform into clinical diseases, are potential targets of these lignans. The prime example of chronic diseases is rheumatic inflammatory diseases, which affect the support structures and the organs of the body and can also develop into malignancies. In line with this, studies emphasizing the anti-inflammatory and anticancer activities of sesame have been discussed in this review.

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In vitro chemotherapeutic and antiangiogenic properties of cardenolides from Acokanthera oblongifolia (Hochst.) Codd

Zeitschrift für Naturforschung C ◽

10.1515/znc-2020-0302 ◽

2021 ◽

Vol 0 (0) ◽

Author(s):

Maha M. Soltan ◽

Howaida I. Abd-Alla ◽

Amal Z. Hassan ◽

Atef G. Hanna

Keyword(s):

Cell Lines ◽

Cancer Cell ◽

Cancer Cell Line ◽

Cancer Cell Lines ◽

Enzyme Inactivation ◽

Enzyme Linked Immunosorbent Assay ◽

Anticancer Properties ◽

Mechanistic Investigation ◽

G2m Phase

Abstract Acovenoside A and acobioside A were isolated from Acokanthera oblongifolia. Their anticancer properties were explored regarding, antiproliferative and antiangiogenic activities. The study included screening phase against six cancer cell lines followed by mechanistic investigation against HepG2 cancer cell line. The sulforhodamine-B (SRB) was used to determine their growth inhibitory power. In the other hand, flow cytometry techniques were recorded the cell death type and cell cycle analysis. The clonogenic (colony formation) and wound healing assays, enzyme-linked immunosorbent assay (ELISA) and molecular docking, were performed to evaluate the antiangiogenesis capability. Both compounds were strongly, inhibited four cancer cell lines at GI50 less than 100 nM. The in vitro mechanistic investigation against HepG2 resulted in cell accumulations at G2M phase and induction of apoptosis upon treating cells separately, with 400 nM Acov-A and 200 nM Acob-A. Interestingly, the same concentrations were able to activate caspase-3 by 7.2 and 4.8-fold, respectively. Suppressing the clonogenic capacity of HepG2 cells (20 and 40 nM) and inhibiting the migration of the colon Caco-2 cancer cells were provoke the results of vascular endothelial growth factor receptor2 (VEGFR2) kinase enzyme inactivation. The docked study was highly supportive, to the antiangiogenic approach of both cardenolides. The isolated cardenolides could orchestrate pivotal events in fighting cancer.

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