In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study
Nyiang Kennet Nkungli, Aymard Didier Tamafo Fouégué, Stanley Numbonui Tasheh, Fritzgerald Kogge Bine, Abrar U. Hassan, Julius Numbonui Ghogomu
Topics & Concepts
ChemistryMolecular dynamicsBenzimidazoleDocking (animal)StereochemistryIn silicoAntimalarial AgentPlasmodium falciparumCombinatorial chemistryComputational chemistryBiochemistryOrganic chemistryNursingGeneBiologyMedicineImmunologyMalariaComputational Drug Discovery MethodsMalaria Research and ControlMetal complexes synthesis and properties