How to Design, Synthesize Structural Analogues, SAR, X-Ray Crystallography, MD & ADMET of Drug

A case study on my PhD research work describes designing and synthesizing a novel drug by making structural analogues of already developed drug through ligand-based drug design. After synthesis, purification and characterization, in-vitro activity analysis, finding IC50 and converting into Ki value, SAR/QSAR studies, molecular docking and X-Ray crystallography analysis and ADMET profile prediction through differeant softwares. Link for IC50 value.    • IC50 values by using GraphPad Prism @Majid...   Link for converting of IC50 to Ki.    • IC50 to Ki conversion by Cheng-Prusoff Equ...   Link for SEM.    • Statistical Analysis - Bar Graph with SD/S...   Link for ADMET profile prediction.    • Ligand-based Virtual Screening & ADME Profile   Link for Molecular Docking.    • Molecular Docking Studies   #medicinal #chemistry #drugdiscovery #molecular #docking ‪@MajidAli2020‬