Fragment-Based Drug Discovery: Difference between revisions
No edit summary |
No edit summary |
||
| Line 9: | Line 9: | ||
---- | ---- | ||
'''Fragment-based drug discovery''' (FBDD) is a method of discovering new compounds by utilizing fragments that have some degree of binding affinity for a drug target, optimizing those fragments so as to increase their binding affinity, then linking them together to form a lead compound that has high affinity and selectivity for the drug target. Nuclear magnetic resonance (NMR) and x-ray crystallography can be used to analyze the fragments and drug targets in order to create three-dimensional images which can be used to obtain an analysis of molecular relationships. This allows developers to get a visual representation of how each fragment binds to the target | '''Fragment-based drug discovery''' (FBDD) is a method of discovering new compounds by utilizing fragments that have some degree of binding affinity for a drug target, optimizing those fragments so as to increase their binding affinity, then linking them together to form a lead compound that has high affinity and selectivity for the drug target. Nuclear magnetic resonance (NMR) and x-ray crystallography can be used to analyze the fragments and drug targets in order to create three-dimensional images which can be used to obtain an analysis of molecular relationships. This allows developers to get a visual representation of how each fragment binds to the target and can also be useful in identifying the individual binding sites of the target. | ||
[[Image:SAR by NMR Illustrated.png | thumb | center | 650px | Fragment-Based Drug Discovery (Adapted from Fig. 1)<ref name="Shuker S. B., Hajduk P. J., Meadows R. P., Fesik S. W. Discovering High-Affinity Ligands for Proteins: SAR by NMR. Science; Nov 29, 1996; 274, 5292; ProQuest Central pg. 1531.">Shuker S. B., Hajduk P. J., Meadows R. P., Fesik S. W. Discovering High-Affinity Ligands for Proteins: SAR by NMR. Science; Nov 29, 1996; 274, 5292; ProQuest Central pg. 1531.</ref>]] | [[Image:SAR by NMR Illustrated.png | thumb | center | 650px | Fragment-Based Drug Discovery (Adapted from Fig. 1)<ref name="Shuker S. B., Hajduk P. J., Meadows R. P., Fesik S. W. Discovering High-Affinity Ligands for Proteins: SAR by NMR. Science; Nov 29, 1996; 274, 5292; ProQuest Central pg. 1531.">Shuker S. B., Hajduk P. J., Meadows R. P., Fesik S. W. Discovering High-Affinity Ligands for Proteins: SAR by NMR. Science; Nov 29, 1996; 274, 5292; ProQuest Central pg. 1531.</ref>]] | ||