Molecular docking studies measure the fitness level or matching index of biological active ingredients on active sites through ligand & protein active site (from database) model using binding energy as the critical parameter. Lower the energy, stronger the bond & medical action, it is postulate. If 2-3 active ingredients in herbal mixture act in a disease how too map docking score as their individual scores vary. For instance, Curcumin, 8-Shagaol, Piperin & Apigenin molecules from Turmeric, Ginger, Black Pepper & Coriander resp. are all anti-inflammaotry with binding energy of -8,.6, -.7.6, -10 & -9.6 Kcal/ mol binding energy resp. wrt receptor 5IKR (PDBID) in Autodock tool. Conformation nos are 35, 40, 53, 20 resp. So can their mix be more stable?
Utkarsh Ghate
Hope this will help
Article Synergistic antibacterial effects of herbal extracts and ant...
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