Investigating The Characteristics Of Anti-Malarial Drugs By Cordial Label-Based Topological Indices

Abstract

In QSPR/QSAR analysis, topological indices are widely used for quantitatively characterizing chemical compounds. These analyses are used to study the compounds' physicochemical characteristics as well as their topological indices. Drugs' physicochemical and biological characteristics can be ascertained with the help of molecular descriptors, which have grown in the past several years. The main objective of this work is to investigate the characteristics of anti-malarial drugs using a theoretical framework. Cordial label-based topological indices is a new method we have presented to examine the structures of anti-malarial medications. With the aid of SPSS, the present study employs linear and quadratic regression methods to determine the quantitative structure property relationship (QSPR) by using topological indices (TI) to investigate anti-malarial drugs, namely doxycycline, amodiaquine, piperaquine, lumiefantrine, primaquine, atovaquone, pyrimethamine, and chloroquine. Seven physicochemical characteristics of anti-malaria drugs, including the boiling point, flash point, enthalpy, molar refractivity, molar volume, polarizability, and complexity, are analyzed using cordial label-based topological indices. For these prescription medications, we calculate the topological descriptors that correspond to their limiting behaviors. Additionally, the QSPR models in this work employ these TIs to estimate certain physicochemical characteristics of the medications. There is a correlation between these indicators and anti-malarial activity, and their relationship works really well for other compound series. The creation and synthesis of innovative anti-malarial drugs may be significantly aided by TIs.