Topological Indices and QSPR Modeling for Drug Discovery in Lumpy Skin Disease

Abstract

A significant health issue impacting the livestock business is the lumpy skin disease virus (LSD) which results in enormous financial losses. This eruptive, infectious disorder causes fever, nodules, skin sores and other symptoms in different places of the body. Bacterial infections frequently make the condition worse. Conventional procedures to treat lumpy virus disease frequently prove inadequate or ineffectual so new therapeutic approaches must be investigated. In this work analyses of meloxicam, riboflavin, flunixin etc. are investigated with the aid of degree base topological indices and computational chemistry technique known as Quantitative Structure-Property Relationship (QSPR) modeling presents a smooth way to forecast the effectiveness of new drug candidates. A unique strategy has been suggested by implementing topological indices in QSPR modeling and finding successful LSD treatments without lab experimentation and at an economically low cost. Topological indices are obtained from the molecular structure graph, which offers a significant understanding of the physical characteristics and functions of molecules. Our goal is to increase the accuracy and efficiency of chemical compound therapeutic potential predictions by including these metrics in QSPR models. Our results show how effective the topological index based on QSPR modeling is at hastening the search for novel LSD treatments and demonstrating the efficacy of TIs in this context. Through the application of computational methods, this study paves the way for advancing the management and control of lumpy skin disease in cattle populations by accelerating the identification and development of effective treatment drugs in future for the said disease.