Modern Approach to Computational Drug Designing Techniques

This research work focused on in silico drug designing of potent anti-malarial compound from artemisinin derivatives. Docking, binding free energy and quantitative structure activity relationship (QSAR) are computational ways to explore the binding structure, binding affinity, interaction of ligand/receptor and development of activity model. In this work, several computational approaches were used to explore binding of artemisinin and its structural derivatives.