Abstract

Numerous research suggest that the structural properties of chemical substances, medicines and their molecular structures have a clear inherent relationship. Among the different proposed systems, coupling a bioactive compound to a biocompatible polymer offers numerous points of interest, for example, better medication solubilization, better adjustment, explicit restriction and controlled discharge. Topological indices identified for such chemicals molecular structures may help researchers for better understand the physical characteristics, chemical reactions, and biological activity of the molecular materials. Therefore, the topological study of the chemical structures and medicines can cover for the lack of scientific experimentation and can offer a theoretical foundation for medication and pharmaceutical content manufacturing. Topological indices based on ev-degree and ve-degree are two novel degree-based indices as late represented in graph theory. In this paper, we have computed topological indices based on ev-degree and ve-degree for the Dox-loaded micelle comprising PEG-PAsp block copolymer bioconjugate molecular structure.

摘要

大量研究表明，化学物质、药物的结构特性与其分子结构有着明确的内在联系。在提出的不同系统中，将生物活性化合物与生物相容性聚合物偶联提供了许多关注点，例如，更好的药物溶解、更好的调整、明确的限制和受控的排放。为此类化学分子结构确定的拓扑指标可以帮助研究人员更好地了解分子材料的物理特性、化学反应和生物活性。因此，化学结构和药物的拓扑研究可以弥补科学实验的不足，为药物和药物成分的制造提供理论基础。基于 ev-degree 和 ve-degree 的拓扑索引是两个新的基于度数的索引，后来在图论中出现。在本文中，我们基于 ev 度和 ve 度计算了包含 PEG-PAsp 嵌段共聚物生物共轭分子结构的载有 Dox 的胶束的拓扑指数。