Design, Synthesis, Molecular Docking, Drug-Likeness/ADMET and Molecular Dynamics Studies of Thiazolyl Benzenesulfonamide Carboxylates as Antimalarial Agents
James A. Ezugwu, Uchechukwu C. Okoro, Mercy A. Ezeokonkwo, Kurma S. Hariprasad, Mithun Rudrapal, Neelutpal Gogoi, Dipak Chetia, David Izuchukwu Ugwu, Florence Uchenna Eze, Ebuka Leonard Onyeyilim, Cosmas Chinweike Eze, Solomon I. Attah
Topics & Concepts
Molecular dynamicsDocking (animal)StereochemistryChemistryMolecular modelIn silicoEnzymeQuinolineCarboxylateCysteine proteaseCombinatorial chemistryPlasmodium falciparumProton NMRProteaseBiochemistryComputational chemistryBiologyOrganic chemistryNursingMedicineGeneMalariaImmunologyComputational Drug Discovery MethodsMalaria Research and ControlSynthesis and biological activity