Ligand based-design of potential schistosomiasis inhibitors through QSAR, homology modeling, molecular dynamics, pharmacokinetics, and DFT studies

• DOI: 10.1016/j.jtumed.2024.02.003
• Publication Date: 2024-02-26T12:54:43Z
• Authors: Saudatu C. Ja'afaru; Adamu Uzairu; Anshuman Chandra; Muhammed S. Sallau; George I. Ndukwe; Muhammad T. Ibrahim; Imteyaz Qamar
• Keywords: ADME

Schistosomiasis, a neglected tropical disease, is leading cause of mortality in affected geographic areas. Currently, because no vaccine for schistosomiasis available, control measures rely on widespread administration the drug praziquantel (PZQ). The mass PZQ has prompted concerns regarding emergence resistance. Therefore, new therapeutic targets and potential compounds are necessary to combat schistosomiasis.