Conformation–activity relationship

The conformation–activity relationship is the relationship between the biological activity and the chemical structure or conformational changes of a biomolecule. This terminology emphasizes the importance of dynamic conformational changes for the biological function, rather than the importance of static three-dimensional structure used in the analysis of structure–activity relationships.[1]

The conformational changes usually take place during intermolecular association, such as protein–protein interaction or protein–ligand binding. A binding partner changes the conformation of a biomolecule (e.g. a protein) to enable or disable its biochemical activity.

Methods for analysis of conformation activity relationship vary from in silico[2] or using experimental methods such as X-ray crystallography and NMR where the conformation before and after activity can be compared statically or using dynamic methods such as multi-parametric surface plasmon resonance, dual-polarisation interferometry or circular dichroism where the kinetics as well as degree of conformational change can be quantified.

Experimental techniques

Static

Static experimental techniques include X-ray crystallography and NMR.

Dynamic

Dynamic experimental techniques include multi-parametric surface plasmon resonance, dual-polarization interferometry, and circular dichroism.

gollark: I have no idea how it works, but it looks related.
gollark: The code for the rest is here:https://github.com/sinkillerj/ProjectE/tree/mc1.12.x/src/main/java/moze_intel/projecte/emc
gollark: Are they not calculated from recipes sometimes?
gollark: Is there an EMC value dump anywhere?
gollark: I decided to ask the esolangs server.

References
  1. Taylor, RE; Chen, Y; Beatty, A; Myles, DC; Zhou, Y (2003). "Conformation-activity relationships in polyketide natural products: a new perspective on the rational design of epothilone analogues". Journal of the American Chemical Society. 125 (1): 26–7. doi:10.1021/ja028196l. PMID 12515494.
  2. Carotenuto, Alfonso; D'ursi, Anna Maria; Mulinacci, Barbara; Paolini, Ilaria; Lolli, Francesco; Papini, Anna Maria; Novellino, Ettore; Rovero, Paolo (2006). "Conformation−Activity Relationship of Designed Glycopeptides as Synthetic Probes for the Detection of Autoantibodies, Biomarkers of Multiple Sclerosis". Journal of Medicinal Chemistry. 49 (17): 5072–9. doi:10.1021/jm060117j. PMID 16913697.
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