M-POLYNOMIALS OF ANTI-CANCER DRUGS-II
Rahul Munavalli1, Prashant Patil2, Sunilkumar M. Hosamani3
1Department of Mathematics, Vidyavardhaka College of Engineering, Mysore− 570 002, India and Visvesvaraya Technological University, Belagavi−590018, Karnataka, India.
2Department of Mathematics, Jain College of Engineering, Belagavi- 590014, India and Visvesvaraya Technological University, Belagavi-590018, Karnataka, India.
3Department of Mathematics, Rani Channamma University, Belagavi – 591156, Karnataka, India
Abstract: The study of chemical and physical properties of drugs used to treat various types of cancer, based on their molecular structures, has garnered considerable interest, especially through the application of topological indices derived from these structures. A thorough understanding of these properties is essential for drug development. In this context, topological indices play a vital role in connecting chemistry with the pharmaceutical industry by offering an economical method to assess the physical properties of molecules. This study focuses on analyzing the topological polynomials and indices of a series of drugs based on polyphenolic compounds such as coumarins in the treatment of cancer. A set of 05 degree based topological indices are considered viz. generalized Randi index Rp(G), generalized reciprocal Randi
index RRp(G) , symmetric division degree index SDD(G), harmonic index H(G) and inverse sum index I(G) for this study. Further, A QSPR analysis has been performed to establish the mathematical relationship between the chemical and physical properties of drugs—such as exact mass, molecular weight, heavy atom count, complexity, molar refractivity, and polarizability—and their topological indices. The topological indices used for the drugs in this study demonstrate a strong correlation with their physicochemical properties of coumarins.
Keywords: Coumarins, molecular graph, topological index, M-polynomial