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CHEM 1210 Biological Sciences
Task:
FDA-approved drug compounds
a)Choose one of the FDA-approved drugs from the given list and attach a screenshot of its structure from Maestro below. For Apple users, use cmd + shift + 4 to take a screenshot. For Windows users, use either the Windows Key + PrtScn, or use the Windows Key + Shift + S.
b)What is the name of the compound you chose?
c)What is its protein target?
d)What is the compound’s brand name (if there is one)?
e)What disease(s) does this medicine treat?
Structure-Based Virtual Screening
Example #2. Choose 10 ligands from the given file and use Glide to dock all 10 compounds. After the docking is finished, Go to your Project Table in the upper righthand corner of the Maestro interface and list the docking score of each ligand.
Example #3. Take a screenshot of the ligand with the best docking score and paste the image below.
Example #4. List the intermolecular forces that you can see between your best ligand and the receptor.
CHEM 1210 Biological Sciences
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