Demonstrates effective predictions for antiviral drug characteristics in phytochemicals, suggesting new treatment approaches.
The Coronavirus, which causes COVID – 19, is a fatal virus that spreads quickly worldwide. The COVID – 19 virus cannot be treated with a specific medication. However, current medications are used for treatment. Nevertheless, research on this disease is ongoing. The numerical values were determined using topological indices. Several topological indices have a high predictive capacity, according to the data, suggesting that they are appropriate for theoretical anti-COVID-19 drug screening. The proposed method offers a quick, economical, and mathematically sound tool for antiviral drug development. In quantitative structure-property relationship (QSPR) and quantitative structure-activity (QSAR) investigations, topological indices are employed to forecast the physicochemical characteristics of pharmacological compounds. In this study, several topological indices, including the Albertson index, sigma index, Sombor index, atom-bond connectivity index, redefined third Zagreb index, and harmonic index, were used to investigate phytochemicals against SARS-CoV-2. Then, establishing a relationship between the physicochemical properties in the QS PR model is determined.
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G et al. (2026) studied this question.
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