AN INVESTIGATION ON CERVICAL CANCER DRUGS THROUGH QSPR MODEL EMPLOYING DEGREE-RELATED TOPOLOGICAL INDICES
DOI:
https://doi.org/10.22159/ijap.2025v17i4.54256Keywords:
Cervical cancer drugs, Topological Indices (TIs) based on degree, QSPR analysis, Linear regression modelAbstract
Objective: To explore the relationship between topological indices and physical properties of the drugs administered for the treatment of cervical cancer using Quantitative Structure–Property Relationship (QSPR) modelling. The present study hopes to determine whether mathematical descriptors of drug molecules can predict physical properties without needing laboratory testing.
Methods: Topological index, used as a molecular descriptor, was employed to describe the molecular structure of gemcitabine, vinblastine, irinotecan, and topotecan, among other cervical cancer drugs. QSPR was just about to find a mathematical relationship between their molecular descriptors and the physical properties like boiling point, molar refractivity, and flash point. Topological Indices: Nine topological indices were used for the molecular structure analysis of each drug. The correlation coefficients and *p-values were calculated to test the significance of these relationships statistically.
Results: The statistical analysis defined the relationships between topological indices and physical properties to be statistically significant when the correlation coefficient referred to was more than 0.7, with a *p-value of less than 0.05. The conditions for the results of this study were satisfied, thus ensuring strong and meaningful correlations. Conclusion: The study shows that topological indices can be effectively incorporated into QSPR modelling to predict the physical properties of drugs against cervical cancer. If provided with mathematical tools, chemists and medical practitioners may find it useful for drug design and development, thereby decreasing the dependence on long-duration, tedious, and expensive laboratory experiments.References
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