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Momordica charantia and breast cancer: An in silico approach
Journal of Theoretical and Computational Chemistry ( IF 2.4 ) Pub Date : 2020-07-16 , DOI: 10.1142/s0219633620500157
Malênia Oliveira dos Santos Coelho 1 , Caroline de Almeida Berbert 1 , Leonardo Luiz Borges 1, 2
Affiliation  

Momordica charantia, known as “São Caetano Melon”, is a medicinal plant popularly used for its antitumor, anticarcinogenic, hypoglycemic, and other properties. Studies in mice have demonstrated its activity in vivo against breast, prostate, and ovarian cancers. In vitro studies have also indicated potential efficacy against cervical solid tumors, and breast cancer. In these studies, we sought to evaluate these putative activities. Our methods included use of in silico tools to assess predicted biological activities, pharmacodynamics, and toxicity. We also performed docking and pharmacophore modeling studies. We found phenolic compounds, flavonoids, alkaloids, and triterpenes. Four flavonoids possess predicted anticarcinogenic activity, and affinity for estrogen receptors. Quercetin was selected for the study because it is the most prevalent representative of its class.

中文翻译:

苦瓜和乳腺癌:一种计算机方法

苦瓜,又名“São Caetano Melon”,是一种药用植物,因其抗肿瘤、抗癌、降血糖等特性而广受欢迎。对小鼠的研究已证明其在体内对乳腺癌、前列腺癌和卵巢癌的活性。体外研究也表明了对宫颈实体瘤和乳腺癌的潜在功效。在这些研究中,我们试图评估这些假定的活动。我们的方法包括使用计算机工具来评估预测的生物活性、药效学和毒性。我们还进行了对接和药效团建模研究。我们发现了酚类化合物、类黄酮、生物碱和三萜。四种黄酮类化合物具有预测的抗癌活性和对雌激素受体的亲和力。
更新日期:2020-07-16
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