Fandia Konate, Fatogoma Diarrrassouba, Georges Stephane Dembele, Mamadou Guy-Richard Koné, Bibata Konate & Nahossé Ziao·Chemical Science International Journal·2021
The purpose of this study is to develop a QSAR model predictive of the antimalarial activity of a series of Dihydrothiophenone molecules using quantum chemical methods. The molecules were optimized from the B3LYP/6-31G (d, p) level of theory. The extracted descriptors are the vib...
Open access
Research Article10.9734/CSJI/2021/v30i830244
This reactivity study was performed on seven molecules of a 2,3-dihydro-1H-perimidine series using density functional theory at the B3LYP / 6-311 G (d, p) level. Calculation of the dipole moment showed that compound 4 is more soluble in aqueous medium. The study of frontier molec...
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Research Article10.9734/irjpac/2022/v23i130451
Malaria remains a public health problem requiring pharmacological innovation in antimalarial drugs. Therefore, their study is of great interest in providing a rapid and less costly route to the development of new, more effective antimalarial drugs. The molecular dipole moment and...
Open access
Research Article10.9734/irjpac/2025/v26i6961