Bibata Konate

Theoretical Study of the Chemical Reactivity of a Series of 2, 3-Dihydro-1H-Perimidine

Nanou Tieba Tuo, Georges Stephane Dembele, Soro Doh, Fandia Konate, Bibata Konate, Charles Guillaume Kodjo & Nahossé Ziao · International Research Journal of Pure and Applied Chemistry · 2022

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...

Open access Research Article 10.9734/irjpac/2022/v23i130451

Elaboration of a Predictive Qsar Model of the Anti-Paludial Activity of a Series of Dihydrothiophenone Molecules at Theory Level B3LYP/ 6-31G (d, p)

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 Article 10.9734/CSJI/2021/v30i830244