Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone

San-Martı́n, Aurelio; Donoso, Viviana; Leiva, Sergio; Bacho, Mitchell; Núñez, S.; Gutiérrez, Margarita; Rovirosa, Juana; Bailón-Moscoso, Natalia; Camacho, Sandra Cuenca; Aviles, Omar Malagon; Cazar, María‐Elena

doi:10.2174/1568026615666150427125033

Cited by 7 publications

(12 citation statements)

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“…We found that the majority of I-X sub-fractions induced a reduction of KG1 and MV4-11 cell viability in a dose and time dependent way ( Figure 3 ). These results are in accordance with previous studies reporting the cytotoxic effects of different Azorella species on a variety of solid and hematological malignancies [ 34 , 36 ], including AML [ 14 ]. Moreover, our results indicated that differences in the cytotoxic activities among I-X sub-fractions seem to be inversely associated with their in vitro antioxidant activities.…”

Section: Discussionsupporting

confidence: 93%

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Advances in Azorella glabra Wedd. Extract Research: In Vitro Antioxidant Activity, Antiproliferative Effects on Acute Myeloid Leukemia Cells and Bioactive Compound Characterization

et al. 2020

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Azorella glabra Wedd. (AG) is traditionally used to treat gonorrhea or kidney’s problems. The antioxidant, antidiabetic, anticholinesterase and in vitro antitumor activities of AG extracts were recently reported. The aim of this work was to investigate anti-leukemic properties of AG chloroform fraction (AG CHCl3) and of its ten sub-fractions (I-X) and to identify their possible bioactive compounds. We determined their in vitro antioxidant activity using 2,2’-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), nitric oxide (NO) and superoxide anion (SO) assays, and their phytochemical profile by spectrophotometric and LC-MS/MS techniques. I-X action on two acute myeloid leukemia (AML) cell lines viability, apoptosis and cell cycle were evaluated by MTS, western blotting and cytofluorimetric assays. Different polyphenol, flavonoid and terpenoid amount, and antioxidant activity were found among all samples. Most of I-X induced a dose/time dependent reduction of cell viability higher than parent extract. IV and VI sub-fractions showed highest cytotoxic activity and, of note, a negligible reduction of healthy cell viability. They activated intrinsic apoptotic pathway, induced a G0/G1 block in leukemic cells and, interestingly, led to apoptosis in patient AML cells. These activities could be due to mulinic acid or azorellane terpenoids and their derivatives, tentatively identified in both IV and VI. In conclusion, our data suggest AG plant as a source of potential anti-AML agents.

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Section: Discussionsupporting

confidence: 93%

“…Although the antitumor property of Azorella genus extracts were recently reported [ 14 , 34 , 36 ], AG Wedd. extracts have not yet been extensively explored.…”

Section: Discussionmentioning

confidence: 99%

Advances in Azorella glabra Wedd. Extract Research: In Vitro Antioxidant Activity, Antiproliferative Effects on Acute Myeloid Leukemia Cells and Bioactive Compound Characterization

et al. 2020

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“…Sung et al reported the cytotoxic activity of methanolic extract of A. compacta and its ability to induce apoptosis on leukemic HL60 cells [ 34 ]. Previously, another work described the antiproliferative activity of a new chalcone from Azorella madreporica on colon, breast, and prostate cancer cells [ 56 ]. All these data indicate the Azorella genus as a possible source of natural agent against different cancer types, including hematologic malignancies.…”

Section: Discussionmentioning

confidence: 99%

Future in the Past: Azorella glabra Wedd. as a Source of New Natural Compounds with Antiproliferative and Cytotoxic Activity on Multiple Myeloma Cells

Lamorte

Faraone

Laurenzana

et al. 2018

IJMS

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Multiple myeloma (MM) is the second most common hematologic malignancy and, although the development of novel agents has improved survival of patients, to date, it remains incurable. Thus, newer and more effective therapeutic strategies against this malignancy are necessary. Plant extracts play an important role in anti-tumor drug discovery. For this reason, in the investigation of novel natural anti-MM agents, we evaluated the phytochemical profiles, in vitro antioxidant activity, and effects on MM cells of Azorella glabra (AG) Wedd. Total polyphenols (TPC), flavonoids (TFC), and terpenoids (TTeC) contents were different among samples and the richest fractions in polyphenols demonstrated a higher antioxidant activity in in vitro assays. Some fractions showed a dose and time dependent anti-proliferative activity on MM cells. The chloroform fraction (CHCl3) showed major effects in terms of reduction of cell viability, induction of apoptosis, and cell cycle arrest on MM cells. The apoptosis induction was also confirmed by the activation of caspase-3. Importantly, the CHCl3 fraction exhibited a negligible effect on the viability of healthy cells. These results encourage further investigations on AG extracts to identify specific bioactive compounds and to define their potential applications in MM.

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“…Since food provides the human body with essential nutrients, such as proteins, lipids, carbohydrates and vitamins, molecular docking can be widely applied in these particular areas. Moreover, food safety issue concerning with drug residues, biotoxins and foodborne pathogens is one of the utmost importance in the food research, which is increasingly involved with molecule level study (San-Martin et al, 2015;Nakano et al, 2018;Sledz & Caflisch, 2018). It should be noted that the applications of molecular docking related to food have been growing rapidly in the last few years (as seen in Fig.…”

Section: Introductionmentioning

confidence: 99%

Recent developments in molecular docking technology applied in food science: a review

Tao

Huang

Wang

et al. 2019

Int J of Food Sci Tech

133

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Molecular docking is a theoretical simulation method based on bioinformatics, which studies the interaction between molecules (such as ligands and receptors), and predicts their binding modes and affinity via a computer platform. This technology acts as a promising mean in medicinal chemistry such as structurebased rational drug design, which is accepted by researchers in the scientific community. During recent years, various fundamental studies involving biomolecular interaction in the food matrix have gradually emerged. The remarkable advantages of molecular docking such as predicting experiments are attracting increasing attention for its application potential in various fields. This review presents the theory and software development of molecular docking, and emphasises its application in the field of food science, including nutritional components and food safety. Moreover, the operational mechanisms of molecular docking are further summarised in this review.

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Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone

Cited by 7 publications

References 0 publications

Advances in Azorella glabra Wedd. Extract Research: In Vitro Antioxidant Activity, Antiproliferative Effects on Acute Myeloid Leukemia Cells and Bioactive Compound Characterization

Advances in Azorella glabra Wedd. Extract Research: In Vitro Antioxidant Activity, Antiproliferative Effects on Acute Myeloid Leukemia Cells and Bioactive Compound Characterization

Future in the Past: Azorella glabra Wedd. as a Source of New Natural Compounds with Antiproliferative and Cytotoxic Activity on Multiple Myeloma Cells

Recent developments in molecular docking technology applied in food science: a review

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