Quantitative Structural Property Relationship of Quinolone Antibiotics by VL-Indices

Manjula V. Kalyanshetti

Abstract: Quinolones, a class of synthetic antibiotics, have evolved from being minor ther- apeutic agents to playing a significant role in the treatment of bacterial infections, including those affecting the urinary tract. In this study, three variants of the Veer- abhadraiah Lokesha (VL) index: the Sombor-type VL index (SVL), the neighbor- hood degree sum VL index (NVL), and the Sombor-type neighborhood degree sum VL index (SNVL) are introduced. These indices, derived from molecular graph the- ory, are analyzed in relation to the physicochemical properties of various Quinolone antibiotics. Regression analyses, including linear, quadratic, logarithmic, and cubic models, are employed to examine the correlation between the VL index, its vari- ants, and the physicochemical properties. The correlation coefficient (r) and scatter plots for each model are discussed to determine the most significant relationships between the indices and the drug properties, providing valuable insights into the structural characteristics of Quinolone antibiotics.

Keywords: Quinolone antibiotic drugs, degree-based topological indices, QSPR analysis, curvilinear regression models