Predicting new potential antimalarial compounds by using Zagreb topological indices

Molecular topology allows describing molecular structures following a two-dimensional approach by taking into account how the atoms are arranged internally through connection matrix between that part of structure. Various indices (unique for each molecule) can be determined, such as Zagreb, Balaban, and topological indices. These have been correlated with physical chemistry properties weight, boiling point, electron density. Furthermore, their relationship specific biological activity has found in other reports. Therefore, its knowledge interpretation could critical rational design new compounds, saving time money development process. In this research, graph antimalarials already pharmaceutical market, chloroquine, primaquine, quinine, artemisinin, was calculated used to compute Zagreb indices; these antimalarial activities found. According results reported work, smaller indices, higher activity. This works very well compounds series. it seems fundamental structural requirement Three triazole-modified proposed possible potential based on hypothesis. Finally, work shows cornerstone designing synthesizing albeit they must proved experimentally.