The goal of this task is to conduct a small SAR study with respect to known drugs and their activity toward their target site and their physical properties. The information obtained from the SAR study will provide clues to the structure of the target site and how the drug may bind to its target as well an appreciation of how differing functional groups may impact the physical properties of molecule.
Method:

1. Select one of the six known drugs listed in the table 1. The drugs’ structure and common target site is provided.
2. Draw the structure of the drug in the Molinspiration app and investigate and report on its calculated properties and predicted bioactivity.
3. Conduct a simple SAR study on your drug of choice by adding, removing, or replacing functional groups on your drug. Provide rationale for the modification you made to the drug. Using the Molinspiration app, inspect any changes to the compound’s properties and predicted bioactivity at its target site.
   Try to draw chemically stable structures. In general, the non-carbon atoms found in drugs tend to be connected to carbon atoms (not each other). For example, an N-Cl bond would not be found in a drug.
   Do not submit structures with charged atoms.
4. Compare and comment on the changes to the physical properties and bioactivity observed between the original drug and your new compound and provide some plausible rationale relating the potential activity of the drug.

Sample Solution