Topological analysis and quantitative structure- property relationship (QSPR) analysis of anti‐asthmatic drugs
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Date
2025-01-18
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UMT Lahore
Abstract
Anti-asthmatic drugs play a crucial role in modern medicine by managing and relieving the symptoms of asthma. this thesis investigates the properties of anti-asthmatic drugs using topological indices and quantitative structure–property relationship (qspr) modeling. the research begins with a comprehensive review of anti-asthmatic agents, utilizing topological indices to examine their molecular structures and potential pharmacological effects. by applying qspr modeling based on these indices, we aim to predict key physicochemical properties of anti-asthmatic drugs, contributing to the development of safer and more effective treatments. motivated by earlier work on the structural analysis of pharmaceuticals, we analyze various anti-asthmatic compounds using selected topological indices. a topological index quantitatively captures theoretical characteristics of chemical structures. these drugs, including bronchodilators, corticosteroids, and leukotriene modifiers, are commonly used to reduce airway inflammation and improve respiratory function. by representing a drug molecule as a graph—where atoms are vertices and bonds are edges—we apply mathematical tools for structural characterization. our qspr analysis demonstrates a strong correlation between specific topological indices and the physicochemical properties of compounds used in anti-asthmatic therapy. these findings highlight the potential of topological and graph-theoretical methods in optimizing drug design, improving therapeutic efficacy, and minimizing side effects.