Department of Mathematical Sciences, Karakoram International University Gilgit, Gilgit, 15100, Pakistan.
Department of Mathematics, University of Sialkot, Sialkot, 51310, Pakistan.
Eur Phys J E Soft Matter. 2023 Aug 21;46(8):72. doi: 10.1140/epje/s10189-023-00333-3.
Bioconjugate networks refer to networks that are formed by connecting different molecules or particles (such as proteins, enzymes, or nanoparticles) through covalent or non-covalent interactions. These networks are often used in various biological and biomedical applications, such as drug delivery, biosensors, and tissue engineering. The specific properties and behavior of these networks depend on the types of molecules used and the nature of their interactions, which can be studied using various computational and experimental techniques. Farnesyl and geranyl groups are types of isoprenoid chains that are commonly found in various biological molecules such as proteins, lipids, and pigments. The addition of these groups to penicillin molecules may alter their physical and chemical properties, such as solubility, stability, and bioavailability. To gain a better understanding of the structure-property relationships of these antibiotics, this study computes various irregularity indices such as the Albertson index, irregularity index, total irregularity index, Randić irregularity index, and other degree-based indices for two types of sensitive bonds of bioconjugate networks. Numerical results and graphical representations are used to illustrate these findings. The obtained results provide valuable insights into the structure-property relationships of penicillins, which will aid in a better understanding of their behavior and developing more effective antibiotics.
生物缀合网络是指通过共价或非共价相互作用将不同的分子或粒子(如蛋白质、酶或纳米粒子)连接形成的网络。这些网络常用于各种生物和生物医学应用,如药物传递、生物传感器和组织工程。这些网络的特定性质和行为取决于所用分子的类型及其相互作用的性质,可以使用各种计算和实验技术进行研究。法呢基和香叶基基团是异戊二烯链的类型,常见于各种生物分子,如蛋白质、脂质和色素。将这些基团添加到青霉素分子中可能会改变它们的物理和化学性质,如溶解度、稳定性和生物利用度。为了更好地了解这些抗生素的结构-性质关系,本研究计算了两种生物缀合网络敏感键的各种不规则性指数,如 Albertson 指数、不规则性指数、总不规则性指数、Randić 不规则性指数和其他基于度的指数。数值结果和图形表示用于说明这些发现。所得结果提供了对青霉素结构-性质关系的深入了解,这将有助于更好地了解它们的行为并开发更有效的抗生素。