Evidence-Based Complementary and Alternative Medicine / 2021 / Article / Tab 2 / Research Article
Uncovering the Protective Mechanism of the Volatile Oil of Acorus tatarinowii against Acute Myocardial Ischemia Injury Using Network Pharmacology and Experimental Validation Table 2 Molecular docking of 5 important targets of VOA.
Targets PDB ID Chemical composition Docking score ESR1 6PET VOA1 64.5085 P2RX7 5U2H VOA1 62.8344 PTGS2 5KIR VOA1 63.5080 ESR1 6PET VOA2 67.2673 P2RX7 5U2H VOA2 60.5152 PTGS2 5KIR VOA2 62.7291 ESR1 6PET VOA3 64.0894 P2RX7 5U2H VOA3 62.1425 PTGS2 5KIR VOA3 64.5139 ESR1 6PET VOA4 67.2681 PPAR-α 3FEI VOA4 68.7501 P2RX7 5U2H VOA4 66.2316 PTGS2 5KIR VOA4 62.2260 EPHX2 3ANS VOA4 62.6863 ESR1 6PET VOA5 66.2105 PPAR-α 3FEI VOA5 65.4939 P2RX7 5U2H VOA5 67.7889 PTGS2 5KIR VOA5 64.5092 EPHX2 3ANS VOA5 65.3003 ESR1 6PET VOA6 65.2575 PPAR-α 3FEI VOA6 67.6596 P2RX7 5U2H VOA6 66.9050 PTGS2 5KIR VOA6 63.6252 EPHX2 3ANS VOA6 65.4785 ESR1 6PET VOA7 60.2374 PTGS2 5KIR VOA7 64.371 EPHX2 3ANS VOA7 61.3399 ESR1 6PET VOA8 67.4526 PTGS2 5KIR VOA8 64.3934 EPHX2 3ANS VOA8 61.9769 ESR1 6PET VOA9 68.2695 PPAR-α 3FEI VOA9 71.5129 P2RX7 5U2H VOA9 72.5833 PTGS2 5KIR VOA9 71.6689 EPHX2 3ANS VOA9 71.4170 ESR1 6PET VOA11 78.1423 PPAR-α 3FEI VOA11 66.9132 PTGS2 5KIR VOA11 77.6608 EPHX2 3ANS VOA11 70.2722 ESR1 6PET VOA12 80.9465 PPAR-α 3FEI VOA12 74.2676 P2RX7 5U2H VOA12 90.9012 PTGS2 5KIR VOA12 77.8928 EPHX2 3ANS VOA12 77.0346 ESR1 6PET VOA15 78.0546 PPAR-α 3FEI VOA15 76.7342 P2RX7 5U2H VOA15 83.8674 PTGS2 5KIR VOA15 79.1801 EPHX2 3ANS VOA15 74.6761 ESR1 6PET VOA16 85.9312 PPAR-α 3FEI VOA16 83.2731 P2RX7 5U2H VOA16 62.2699 PTGS2 5KIR VOA16 92.4880 EPHX2 3ANS VOA16 89.1537 ESR1 6PET VOA18 83.9547 PPAR-α 3FEI VOA18 65.3407 PTGS2 5KIR VOA18 85.8182 EPHX2 3ANS VOA18 87.7297 ESR1 6PET VOA20 96.4940 PPAR-α 3FEI VOA20 86.9967 P2RX7 5U2H VOA20 97.3168 PTGS2 5KIR VOA20 104.678 EPHX2 3ANS VOA20 93.5532 ESR1 6PET VOA21 67.9247 PPAR-α 3FEI VOA21 65.9274 PTGS2 5KIR VOA21 66.2899 EPHX2 3ANS VOA21 67.4975 ESR1 6PET VOA22 69.3249 PPAR-α 3FEI VOA22 73.3223 P2RX7 5U2H VOA22 65.2278 PTGS2 5KIR VOA22 70.7295 EPHX2 3ANS VOA22 74.0924 ESR1 6PET VOA23 96.9734 PPAR-α 3FEI VOA23 99.8045 P2RX7 5U2H VOA23 87.1190 PTGS2 5KIR VOA23 102.692 EPHX2 3ANS VOA23 88.7468 ESR1 6PET VOA25 74.0667 PPAR-α 3FEI VOA25 64.8149 PTGS2 5KIR VOA25 83.2913 EPHX2 3ANS VOA25 77.1942 ESR1 6PET VOA26 62.8586 PTGS2 5KIR VOA26 90.0276 EPHX2 3ANS VOA26 90.5615 ESR1 6PET VOA27 84.2810 PPAR-α 3FEI VOA27 92.7826 P2RX7 5U2H VOA27 81.9188 PTGS2 5KIR VOA27 101.013 EPHX2 3ANS VOA27 83.5758 PTGS2 5KIR VOA29 81.0304 EPHX2 3ANS VOA29 81.9996 ESR1 6PET VOA30 65.5115 PPAR-α 3FEI VOA30 62.0720 P2RX7 5U2H VOA30 66.2747 PTGS2 5KIR VOA30 67.1910 EPHX2 3ANS VOA30 63.4045 ESR1 6PET VOA31 62.1971 P2RX7 5U2H VOA31 64.2998 EPHX2 3ANS VOA31 66.0117 PPAR-α 3FEI VOA32 61.9083 PTGS2 5KIR VOA32 84.2783 EPHX2 3ANS VOA32 80.7550 ESR1 6PET Propranolol 95.8670 PPAR-α 3FEI Propranolol 98.2171 P2RX7 5U2H Propranolol 90.1426 PTGS2 5KIR Propranolol 112.0720 EPHX2 3ANS Propranolol 107.5180
