化妆品和制药工业中不同着色剂安全性的模拟筛选

Tanya Mehra, A. Mishra, Nidhi Mishra
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引用次数: 0

摘要

着色剂是化妆品、医药、食品等行业不可分割的组成部分。食品色素健康影响评估OEHHA在2020年进行的一项研究报告称,在过去的20年里,被诊断患有注意力缺陷多动障碍(ADHD)的美国儿童和青少年的比例从估计的6.1%增加到10.2%。一些研究表明,人工食用色素可能导致注意力缺陷多动障碍。本研究试图对Python 2.7中编码的三亚铁氰化物、焦糖、胭脂红、Betanine、erythrosin、Tartrazine、靛蓝、Allura red、sunset yellow、Brillant blue、姜黄素、lawsone和Juglone进行硅安全分析。分析了软件生成的特性:分子量(MW)体积、TPSA、log、LogP、LogD、Caco-2渗透性、HIA、蛋白结合性、血脑屏障渗透性、皮肤敏感性、致癌性、眼睛刺激性、呼吸毒性、遗传毒性、不可生物降解性和水生毒性。该研究结果揭示了这些广泛应用于化妆品、食品和制药工业的染料和色素的安全性的一个全新层面。关键词:硅,预测,色素,毒性。
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A Simulation Based Screening on Different Coloring Agents used in Cosmetics and Pharmaceutical Industry for their Safety Profile
Coloring agents are inseparable part of cosmetic, pharmaceutical Industry and food industry. A study conducted by Food Dyes Health Effects Assessment OEHHA in 2020 reported The percentage of US children and adolescents diagnosed with Attention Deficit Hyperactivity Disorder (ADHD) increased from an estimated 6.1% to 10.2% in the past 20 years. Several studies revealed that Attention Deficit Hyperactivity Disorder could be caused by Artificial Food dyes In This study an attempt was made to perform the in silico safety analysis of Ferric ferrocyanide, caramel, Carmine, Betanine, Erythrosine,Tartrazine, Indigotine, Allura red, sunset yellow, Brillant blue, Curcumin, lawsone and Juglone coded in Python 2.7. The properties generated by the software were analyzed were molecular Weight (MW)Volume,TPSA, LogS, LogP, LogD, Caco-2 permeability, HIA, Protein binding, BBB permeability, skin sensitivity, carcinogenicity, eye irritation, respiratory toxicity, genotoxicity, non biodegrability and aquatic toxicity. The result of this study revealed a totally new dimension of the safety of these dyes and pigment which are widely used in the cosmetic, Food and Pharmaceutical Industry. Key words: in silico, prediction, Pigment, toxicity.
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