STRUCTURAL ANALYSIS OF COX-2 PDB 3D-MODELS FOR A COMPUTER-AIDED DRUG DESIGN STRATEGY: A PYMOL-BASED APPROACH FOR IBUPROFEN PHARMACOLOGICAL MOA DETERMINATION AND ENHANCEMENT

Alvaro Mercado Ortega

Studenteropgave: Bachelorprojekt

Abstrakt

The aim of the present report was to unveil the mechanism of action by which ibuprofen inhibits the enzyme cyclooxygenase-2, responsible for the synthesis of prostaglandins which mediate inflammation. This was achieved by proposing a biosynthetic mechanism for prostaglandins and conformational analyses of several PDB models. It was also aimed to enhance ibuprofen inhibitory action by proposing new drugs based on its structure and a docking process evaluated this action, leading to plausible candidate that we called aminoprofen.

UddannelserKemi, (Bachelor/kandidatuddannelse) Bachelor
SprogDansk
Udgivelsesdato27 maj 2019
Antal sider50
VejledereKornelius Zeth

Emneord

  • Biosynthetic mechanism
  • conformational analysis
  • COX-2
  • docking
  • drugs
  • enzymatic inhibition
  • ibuprofen
  • molecular structure
  • prostaglandins
  • PyMOL