Fredrick C. Asogwa

TL;DR: In this article , the authors used density functional theory (DFT) calculations and molecular docking of the chemical N-(1H-pyrrol-2-yl) methylene)-4-methylaniline (PMMA) for the treatment of castration-resistant prostate cancer.

TL;DR: In this paper , the P@MoS2-QD surface was investigated using density functional theory (DFT) computation to understand their mechanistic sensing ability, such as conductivity, selectivity, and sensitivity toward NH3 gas.

TL;DR: In this paper , the experimental and in-silico molecular modeling of the biological activity of a novel azo-based compound as potential candidate for Alzheimer's disease was reported, which was obtained by coupling reactions with 4-amino-3-nitrobenzaldehyde.

TL;DR: In this paper , a theoretical study was conducted to evaluate the efficiency of fullerene C60 and its metal functionalized nano clusters as a sensor for hydroxyurea (HXU).

TL;DR: Zinc chloride mediated synthesis, density functional theory (DFT) studies and molecular docking of new carboxamide derivatives containing sulphonamide functionality is reported in this paper , where the results showed that the newly synthesized carboxamides are better anti-malaria drug candidates than their 1-[N-benzoylated]-pyrollidine derivatives; BSNPPC and BSHNPPC.