Molecular docking of genistein on estrogen receptors, promoter region of BCLX, caspase-3, Ki-67, cyclin D1, and telomere activity

Yuseran, Hariadi; Hartoyo, Edi; Nurseta, Tatit; Kalim, Handono

doi:10.1016/j.jtumed.2018.10.003

Cited by 10 publications

(9 citation statements)

References 31 publications

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“…Furthermore, genistein was selected in an in vitro study. This study extends previous in silico findings of the communication of genistein and daidzein against cyclin D1 ( 27 , 28 ).…”

Section: Discussionsupporting

confidence: 90%

Protective Effect of Genistein on Cyclin D1 Expression in Malignant Ocular Melanoma Cells

Aprilliantina¹,

Novita²,

Sadono³

et al. 2021

Med Arch

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Background: Ocular melanoma is a disorder that is rarely found but is deadly. Four tissues in the eye that can be attacked by melanoma include the uveal tract, conjunctiva, eyelids, and orbit. Uveal melanoma is the most common case, while melanoma conjunctiva is very rare. Objective: This study aimed to investigate the effect of giving genistein on cyclin D1 expression in malignant melanoma. Methods: When confluent, CRL1872 malignant melanoma cells will be divided into treatment groups, the group giving genistein dose 25 μM, the group giving genistein a dose of 50 μM, and the group giving genistein a dose of 100 μM. Cyclin D1 analysis was measured by immunofluorescence using confocal laser scan microscopy. Results: There was a significant increase in the expression of cyclin D1, in the group given genistein 25 μM and 50 μM (p < 0.05). For the administration of the genistein dose of 100 μM, cyclin D1 expression decreased significantly compared to the control group (p < 0.05). Conclusion: It was concluded that genistein had a biphasic effect on cyclin D1 expression in malignant melanoma cells. Thus, genistein at the right dose can be a treatment of malignant melanoma.

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“…Furthermore, genistein was selected in an in vitro study. This study extends previous in silico findings of the communication of genistein and daidzein against cyclin D1 ( 27 , 28 ).…”

Section: Discussionsupporting

confidence: 90%

Protective Effect of Genistein on Cyclin D1 Expression in Malignant Ocular Melanoma Cells

Aprilliantina¹,

Novita²,

Sadono³

et al. 2021

Med Arch

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“…Our previous in silico study found that a stronger interaction between genistein and ER-a as compared to that between genistein and ER-b [33]. In this study, we used MPP to block ER-a.…”

Section: Discussionmentioning

confidence: 99%

Genistein inhibits the proliferation of human choriocarcinoma cells via the downregulation of estrogen receptor-α phosphorylation at serine 118

Yuseran

Hartoyo

Nurseta

et al. 2021

Clinical Nutrition Open Science

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Background & aims: Choriocarcinoma is a malignant trophoblastic tumor. The phosphorylation of estrogen receptor-a at serine 118 (p-ER-s118) decreases cancer cell proliferation. However, the effect of genistein as a modulator of pER -s118 and proliferation of chorioarcinoma cells remains to be understood. This study aims at determining the function of genistein on pER -s118 levels and human choriocarcinoma JEG-3 cell proliferation. Methods: After reaching confluency, cells were divided into six groups, the control group (without methyl-piperidino-pyrazole (MPP) pre-treatment and genistein treatment); and groups with cells treated with genistein at concentrations of 0, 10, 25, 50, and 100 mM (cells were pretreated with MPP). Expression of pER -s118 and Ki-67 were analyzed using immunocytochemistry. Results: Different doses of genistein decreased pER -s118 levels compared to those in the control (p < 0.05). JEG-3 cell proliferation was inhibited by MPP pre-treatment, concomitant with genistein treatment with a dose of 0 mM, 25 mM, 50 mM, and 100 mM compared to the proliferation of the control cells (p < 0.05).

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“…Most importantly, data derived in this way very often show good consistency with experiments [ 86 ]. For the obtained data, a correlation with estradiol, but sometimes also with tamoxifen [ 75 ] (ER antagonist) or genistein [ 87 , 88 ], is found. This last substance serves as an important reference, as genistein has a higher affinity for ERβ than 17β-estradiol.…”

Section: Application Of Molecular Modelling Methods In the Study Omentioning

confidence: 99%

Application of Various Molecular Modelling Methods in the Study of Estrogens and Xenoestrogens

Mazurek

Szeleszczuk

Simonson

et al. 2020

IJMS

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In this review, applications of various molecular modelling methods in the study of estrogens and xenoestrogens are summarized. Selected biomolecules that are the most commonly chosen as molecular modelling objects in this field are presented. In most of the reviewed works, ligand docking using solely force field methods was performed, employing various molecular targets involved in metabolism and action of estrogens. Other molecular modelling methods such as molecular dynamics and combined quantum mechanics with molecular mechanics have also been successfully used to predict the properties of estrogens and xenoestrogens. Among published works, a great number also focused on the application of different types of quantitative structure–activity relationship (QSAR) analyses to examine estrogen’s structures and activities. Although the interactions between estrogens and xenoestrogens with various proteins are the most commonly studied, other aspects such as penetration of estrogens through lipid bilayers or their ability to adsorb on different materials are also explored using theoretical calculations. Apart from molecular mechanics and statistical methods, quantum mechanics calculations are also employed in the studies of estrogens and xenoestrogens. Their applications include computation of spectroscopic properties, both vibrational and Nuclear Magnetic Resonance (NMR), and also in quantum molecular dynamics simulations and crystal structure prediction. The main aim of this review is to present the great potential and versatility of various molecular modelling methods in the studies on estrogens and xenoestrogens.

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Molecular docking of genistein on estrogen receptors, promoter region of BCLX, caspase-3, Ki-67, cyclin D1, and telomere activity

Cited by 10 publications

References 31 publications

Protective Effect of Genistein on Cyclin D1 Expression in Malignant Ocular Melanoma Cells

Protective Effect of Genistein on Cyclin D1 Expression in Malignant Ocular Melanoma Cells

Genistein inhibits the proliferation of human choriocarcinoma cells via the downregulation of estrogen receptor-α phosphorylation at serine 118

Application of Various Molecular Modelling Methods in the Study of Estrogens and Xenoestrogens

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