使用M多项式分析代表抗生素药物的分子图的Sombor指数
J Senbagamalar1, M S Ramani2, Venkata Shivakumar Remella3
1Department of Mathematics, Vel Tech Rangarajan Dr. Sagunthala R & D Institute of Science and Technology, Chennai, India.
Current drug discovery technologies
|September 29, 2025
概括
分子拓学通过表征化合物来帮助药物设计. 本研究使用Sombor指数和-多项式来分析抗菌药物,将它们的结构与更好的药物开发属性相关联.
科学领域:
- 药用化学 医学化学
- 计算化学计算化学
- 药物设计 药物设计
背景情况:
- 传染病和流行病对全球健康构成威胁.
- 分子拓对于在药物发现中对化学化合物的表征至关重要.
- 从分子图形属性得出的拓索引,为分子结构提供了洞察力.
研究的目的:
- 应用分子拓学概念来分析抗菌药物.
- 为了有效计算拓索引,利用-多项式.
- 在抗生素分子结构的背景下研究索博尔指数.
主要方法:
- 边缘分区技术被用来导出-多项式.
- -多项式被用来计算基于度的拓指数.
- 索博尔指数是为选择的抗菌药物分子计算的.
主要成果:
- 索博尔指数分析了常见的抗菌药物,如阿莫西西林,安皮西林,四环素,多西环素,塞法列辛和西普罗夫洛克萨.
- 这些药物对于治疗各种细菌感染,包括呼吸道和尿路感染至关重要.
- 这项研究探讨了衍生的拓指数和物理化学性质之间的相关性.
结论:
- -多项式为导出多个拓索引提供了一种有效的方法.
- 索博尔指数和其他拓描述符可以描述抗菌药物分子.
- 这种方法有助于理解结构-活性关系,以改进药物设计和QSAR/QSPR模型.
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