On the QSPR Analysis of Diabetic Nephropathy with the Degree-based Topological Indices
S. Nagarajan
Department of Mathematics, Kongu Arts and Science College (Autonomous), Erode, Tamilnadu-638 107, India.
B. Aswini *
School of Mathematics, A.V.P. College of Arts and Science, Tirupur-641 652, India.
*Author to whom correspondence should be addressed.
Abstract
Aims: In this article, the drugs used in the treatment of Diabetic Nephropathy are analyzed using the topological indices, and a QSPR analysis of the chemical properties is done.
Study Design: The degree based topological indices are used for this structural analysis of chemical compounds of these drugs. The graph structure of a chemical structure is derived from a chemical component by considering the atoms as vertices and the bonds connecting two atoms as edges, the edge-partitions are computed and used to obtain the topological indices.
Results: The topological indices of these drugs are calculated and compared with the theoretical properties of the drugs. The diagrammatic visualization of the data is plotted in Box graph, Line graph and in scatter diagram. The theoretical values are compared with these topological indices and the regression equations are found. The relation between the properties of chemicals in terms of topological indices is given as regression equations. These equations contain vital information about the structural relationship and the numerical invariants and the properties in terms of numerical values and may be used for drug design.
Conclusion: The computed topological indices are visualized in various aspects and the regression analysis among the chemical properties of the drugs and the topological indices is done. This degree-based QSPR analysis helps to design medicines for the diabetic nephropathy.
Keywords: QSPR analysis, drug design, diabetic nephropathy, nephropathy, topological indices