23123 - Drug Screening using MOE and GOLD

Objective of the assignment: (has 2 parts) ATTENTION - must use GOLD and MOE dock programs 1st part: • Use the target PDE4B receptor (pdb code 1RO6) and dock the John Hopkins Clinical Collection of small molecules into the active site using MOE Dock and GOLD program. • Then dock the full library using MOE and GOLD. You will be given an mdb file for MOE and an sdf for GOLD Look at the top 10 hits for MOE and GOLD, are they the same compounds? Discuss your results and include some diagrams of docking modes. Write and discuss your analysis. - 750 words of analysis and discussion (use 5 references with ACS style) - 10 diagrams of docking modes 2nd part • List the top 3 docking algorithms (your answers may differ depending upon the papers your read) currently used and describe the difference(s) in the algorithms. - 250 words with 3 references used from papers (ACS style ) - Size 11 with Time New Roman font Paper Length : 1000 Referencing Style : Open Number of References : 10 Country : Canada Deadline: 12 Hrs