Category Archives: Elective courses

CADD assignment-2

Computer-Aided Drug Design assignment-2

A group of 8 students have to choose one enzyme from the following table;and

From protein data bank (PDB) :

1- Extract the chosen receptor and download your receptor in “.pdb format” 

N.B: Print the first page of the downloaded format to ensure your downloading 

2- Display the 2D and 3D interaction between ligand and receptor

3- Show the bonds between the ligand and the receptor 

4-  Draw the ligand and display its 3D structure using ChesmSKetch program and submit it with the assignment 

“Print screenshot of the drawings “

N.B: Submit the results with screenshots from the pdb site and chemsketch

Deadline : Thursday  22/11/2018

regards,

Receptors Ligands
  1. Cyclooxygenase-II 
Celecoxib
2. Beta receptor Propranolol
3. Histamine receptor  Ranitidine 
4. Hiv protease Indinavir
5. Xanthine oxidase Allopurinol
6. Carbonic anhydrase Acetozolamide
7. Alpha 1 receptor  Prazocin
8. ACE Enalapril
9. Thymidylate synthetase 5-fluorouracil
10. HMG-coa reductase Simvastatin
11. Mu receptor Morphine
12. 5-alpha reductase  Finasteride
13. Adenosine deaminase Pentostatin
14. Topoisomerase ii Etoposide
15. Aromatase Anastrozole
16. Adenylsuccinate synthetase 6- mercaptopurine 
17. Acetylcholine esterase Neostigmine
18. Phosphodiesterase V Sildenafil
19. Monoamine oxidase  Moclobemide
20. Neuroamidase Oseltamivir