基于分子动力学草图的自闭症谱系疾病抑制因子结构设计

Bipin Nair, V. Bhaskaran, K. Arunjit
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引用次数: 2

摘要

在本文中,我们使用计算工具绘制了自闭症谱系障碍抑制药物的化学结构。我们正在设计三种分子化合物,比如氟西汀,利培酮,褪黑素。构造抑素,勾勒出官能团与氧、氮、卤素等元素的芳构化和成键。在我们的工作中,我们使用计算算法来绘制抑制药物的结构。本文介绍了自闭症谱系抑制因子的分子式和结构式。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Structural designing of suppressors for autisms spectrum diseases using molecular dynamics sketch
In this paper we are sketching the chemical structure of suppressor drug for autism spectrum disorder using a computational tool. Here we are designing three molecular compounds like Fluoxetine, Risperidone, Melatonin. Structuring the suppressors, sketching the aromatization and bonding of the functional groups with the elements like Oxygen, Nitrogen, halogens. In our work we are using computational algorithm for drawing the structure of suppressor drug. In this paper we are mentioning the autism spectrum suppressor’s molecular formula as well as structural formula.
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