Author

D. Bodun

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Open access Sep 2026

Computational design and optimization of Traditional Chinese Medicine compounds as potential inhibitors of Escherichia coli gyraseB

The increasing prevalence of antibiotic resistance among major pathogens poses a significant threat to public health, necessitating innovative control measures and novel antibacterial drugs. This study employs a computational design and lead optimization approach to discover new drug candidates by virtually screening t...

P. Adedibu, A. Abdulwahab, F. Nkemehule et al. · Discover Chemistry · 0 citations

Open access Aug 2026

De Novo Molecular Design and Bioactivity Prediction of Novel Hexahydroquinolines as Plasmodium falciparum Calcium-Dependent Protein Kinase 4 (CDPK4) Inhibitors

Plasmodium falciparum Calcium-Dependent Protein Kinase 4 (PfCDPK4) is a validated target for malaria transmission-blocking interventions, as its inhibition disrupts male gametocyte exflagellation. Hexahydroquinolines (HHQs) have emerged as promising gametocytocidal agents. This study aimed to design novel HHQs as poten...

G. Oduselu, D. Bodun, O. Ajani et al. · Bioinformatics and Biology I... · 0 citations