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一种异喹啉生物碱,小檗碱,可以抑制真菌的α-淀粉酶:酶动力学和分子模拟研究。

An isoquinoline alkaloid, berberine, can inhibit fungal alpha amylase: enzyme kinetic and molecular modeling studies.

机构信息

Department of Biotechnology and Microbiology and Inter University Centre for Biosciences, Kannur University, Thalassery Campus, Palayad P O, Kerala 670661, India.

出版信息

Chem Biol Drug Des. 2012 Oct;80(4):554-60. doi: 10.1111/j.1747-0285.2012.01426.x. Epub 2012 Jul 23.

DOI:10.1111/j.1747-0285.2012.01426.x
PMID:22690956
Abstract

Aspergillus flavus is a commonly found fungal pathogen, which produces aflatoxins, highly toxic and hepatocarcinogenic natural compounds. Inhibition of fungal alpha amylase activity has been found to limit the ability of the fungus to produce aflatoxins. Berberine, an isoquinoline alkaloid commonly found in many medicinal plants, was identified to inhibit the growth of A. flavus. The amount of berberine required to inhibit the fungal mycelial growth was determined. The compound was also found to inhibit the alpha amylase from the A. flavus. The binding affinity of the compound toward alpha amylase and the enzyme inhibitory activity have been determined by enzyme kinetic studies and Isothermal Titration Calorimetric analysis. Molecular modeling and docking studies were carried out to understand the enzyme-ligand interactions.

摘要

黄曲霉是一种常见的真菌病原体,它会产生黄曲霉毒素,这是一种毒性很强的肝致癌物。研究发现,抑制真菌的α-淀粉酶活性可以限制真菌产生黄曲霉毒素的能力。小檗碱是一种在许多药用植物中常见的异喹啉生物碱,被鉴定为能抑制黄曲霉的生长。确定了抑制真菌菌丝生长所需的小檗碱量。还发现该化合物能抑制黄曲霉的α-淀粉酶。通过酶动力学研究和等温热力学滴定分析测定了该化合物对α-淀粉酶的结合亲和力和酶抑制活性。进行了分子建模和对接研究,以了解酶-配体相互作用。

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