Mechanism of the Self-Assembly of Calcitonin

来源 :第七届全国生物信息学与系统生物学学术大会 | 被引量 : 0次 | 上传用户：gaoyeye

【摘要】

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【作者】

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朱小娟张鹏王先龙

【机构】

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电子科技大学生命科学与技术学院,神经信息重点实验室,成都610054 电子科技大学生命科学与技术学

【出处】

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第七届全国生物信息学与系统生物学学术大会

【发表日期】

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2016年8期

【关键词】

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calcitonin self-assembly molecular docking binding free energy energy decomposit

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　　Calcitonin,a hormone with the ability of reducing serum calcium,is a 32 amino-acid peptide.It has been experimentally observed that calcitonin can undergo self-assembly to form nanoparticles under some condition,which suggests calcitonin could be used as delay-release drug carrier material.In our research,we use molecular docking,binding free energy calculations and energy decomposition to study the mechanism and stability of calcitonin self-interaction.We found that in aqueous solution,van der Waals forces play a favorable role in all the binding poses of our research and the polarity play the role of negative effect.

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Mechanism of the Self-Assembly of Calcitonin

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