Zakari Y. Ibrahim

Structure-toxicity Relationships of Naphthylisoquinoline Derivatives as Antimalarial Agents Using Molecular Descriptors

Zakari Y. Ibrahim, Adamu A. Uzairu & Stephen E. Abechi · Chemical Science International Journal · 2015

The cytotoxicity data of 46 naphthylisoquinoline derivatives that will inhibit 50% of cell growth (pIC50) were used to develop quantitative structure-activity relationships (QSAR). 433 molecular descriptors was obtained from DFT (B3LYP/6-311+G*) level of calculation for each mole...