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©The Author(s) 2024.
World J Clin Cases. Sep 26, 2024; 12(27): 6094-6104
Published online Sep 26, 2024. doi: 10.12998/wjcc.v12.i27.6094
Published online Sep 26, 2024. doi: 10.12998/wjcc.v12.i27.6094
Table 1 The binding energy of Coridius chinensis core active compounds and core common targets
| Compounds\affinity (kcal/mol) | ACE (6WF3-COA) | EGFR (7JXQ-ANP) | ICAM1 (1P53-NAG) | MMP2 (4WK7-3PQ) | MMP9 (2OVZ-5MR) | NOS3 (1M9K-7NI) | PPARG (3ET0-ET0) | PTGS2 (5IKR-ID8) | SIRT1 (5BTR-STL) |
| Asponguanosines A | -8 | -8.4 | -5.8 | -8.7 | -7.8 | -6.6 | -5.6 | -5.4 | -8 |
| Aspongadenine B | 6.6 | -6.2 | -4.7 | -6.4 | -5.6 | -7.1 | -6.2 | -7 | -6.6 |
| Asponguanine B | -6.5 | -6.2 | -5.1 | -6.9 | -6.7 | -7.7 | -6.3 | -5.8 | -6.8 |
| Aspongpyrazine A | -7.5 | -7 | -5.7 | -8.1 | -8.4 | -8 | -7.2 | -7.4 | -7.5 |
| Aspongpyrazine B | -5.2 | -5 | -3.8 | -6.1 | -6.1 | -5.9 | -5 | -4.9 | -5 |
| Asponguanine C | -6.6 | -6.4 | -5.1 | -7.1 | -7.1 | -7.5 | -6.8 | -7.2 | -6.6 |
| N-acetyldopamine | -6.6 | -6.4 | -5.1 | -7.4 | -7.5 | -7.9 | -6.4 | -5.7 | -7.1 |
- Citation: Zhang M, Ma J, Zeng FY, Hou XH. Network pharmacology combined with molecular docking revealed the potential targets of Coridius chinensis in prostate cancer treatment. World J Clin Cases 2024; 12(27): 6094-6104
- URL: https://www.wjgnet.com/2307-8960/full/v12/i27/6094.htm
- DOI: https://dx.doi.org/10.12998/wjcc.v12.i27.6094