Affiliations 

  • 1 Special Interest Group on Modeling and Data Analytics, Faculty of Computer Science and Mathematics, Universiti Malaysia Terengganu, Nerus, Terengganu, Malaysia
  • 2 Department of Mathematics, Faculty of Sciences, Ghazi University, Dera Ghazi Khan, Pakistan
  • 3 Department of Mathematics and Statistics, De La Salle University, Malate Manila, Metro Manila, Philippines
  • 4 Mathematics Department, College of Science, King Saud University, Riyadh, Saudi Arabia
  • 5 Energy Engineering Division, Department of Engineering Science and Mathematics, Lulea University of Technology, Lulea, Sweden
PLoS One, 2024;19(5):e0302276.
PMID: 38713692 DOI: 10.1371/journal.pone.0302276

Abstract

Based on topological descriptors, QSPR analysis is an incredibly helpful statistical method for examining many physical and chemical properties of compounds without demanding costly and time-consuming laboratory tests. Firstly, we discuss and provide research on kidney cancer drugs using topological indices and done partition of the edges of kidney cancer drugs which are based on the degree. Secondly, we examine the attributes of nineteen drugs casodex, eligard, mitoxanrone, rubraca, and zoladex, etc and among others, using linear QSPR model. The study in the article not only demonstrates a good correlation between TIs and physical characteristics with the QSPR model being the most suitable for predicting complexity, enthalpy, molar refractivity, and other factors and a best-fit model is attained in this study. This theoretical approach might benefit chemists and professionals in the pharmaceutical industry to forecast the characteristics of kidney cancer therapies. This leads towards new opportunities to paved the way for drug discovery and the formation of efficient and suitable treatment options in therapeutic targeting. We also employed multicriteria decision making techniques like COPRAS and PROMETHEE-II for ranking of said disease treatment drugs and physicochemical characteristics.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.