Structure-Based Design of Potential Anti-schistosomiasis Agent Targeting SmHDAC8: An In Silico Approach Utilizing QSAR, MD Simulation and ADMET Prediction
Saudatu Chinade Ja’afaru, Adamu Uzairu, Muhammed Sani Sallau, George Iloegbulam Ndukwe, Muhammad Tukur Ibrahim, Ammar Usman Danazumi
Topics & Concepts
Quantitative structure–activity relationshipIn silicoChemistryDocking (animal)Molecular dynamicsComputational biologyStereochemistryDrug designComputational chemistryBiologyBiochemistryGeneNursingMedicineParasites and Host Interactions