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. 2022 Jun 7;16(1):42. doi: 10.1186/s13065-022-00835-9

Table 5.

Best fit alignment score obtained using PharmaGist

Score Features Spatial features Aromatic Hydrophobic Donors Acceptors Negative Positive Molecules
The best fit alignment score of COX 2 inhibitor drugs
11.906 3 3 0 0 0 3 0 0 Bextra, celebrex, nimesulide, indomethacin, vioxx
Best fit alignment score of COX 2 inhibitor drugs + Mangiferin
12.728 3 3 0 0 0 3 0 0 Bextra, celebrex, nimesulide, indomethacin, vioxx, mangiferin