Sultana Sobia
Department of Mathematics and Statistics, Faculty of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), P.O. Box 90950, Riyadh 11623, Saudi Arabia.
Int J Anal Chem. 2024 Feb 5;2024:6516976. doi: 10.1155/2024/6516976. eCollection 2024.
Asthma is a medical condition characterized by inflammation, narrowing, and swelling of a person's airways, leading to increased mucus production and difficulties in breathing. Topological indices are instrumental in assessing the physical and chemical attributes of these asthma drugs. As resistance to current treatments continues to emerge and undesirable side effects are linked to certain medications, the search for novel and enhanced drugs becomes a top priority. In this study, the examination of 19 distinct asthma medications was focused. In this study, quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR) modeling, in combination with multicriteria decision-making (MCDM) technique VIKOR (VIekriterijumsko KOmpromisno Rangiranje) were employed on asthma drugs, to achieve the most favorable rankings for each asthma drug, taking into account their distinct properties. The topological indices employed for QSPR modeling were Randic index, reciprocal Randic index, Zagreb indices, hyper-Zagreb index, harmonic index, geometric arithmetic index, and forgotten index.
哮喘是一种医学病症,其特征为人的气道出现炎症、变窄和肿胀,导致黏液分泌增加和呼吸困难。拓扑指数有助于评估这些哮喘药物的物理和化学属性。随着对当前治疗方法的耐药性不断出现,且某些药物存在不良副作用,寻找新型和改良药物成为当务之急。在本研究中,重点对19种不同的哮喘药物进行了考察。在本研究中,将定量构效关系(QSAR)和定量构性关系(QSPR)建模与多准则决策(MCDM)技术VIKOR(VIekriterijumsko KOmpromisno Rangiranje)相结合,应用于哮喘药物,以考虑每种哮喘药物的独特属性,为其获得最有利的排名。用于QSPR建模的拓扑指数有兰迪指数、倒数兰迪指数、 Zagreb指数、超Zagreb指数、调和指数、几何算术指数和遗忘指数。