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Table 3 Docking score, glide energies and emodel energies of synthesized molecules

From: Synthesis, anti-microbial activity, cytotoxicity of some novel substituted (5-(3-(1H-benzo[d]imidazol-2-yl)-4-hydroxybenzyl)benzofuran-2-yl)(phenyl)methanone analogs

Compounds Docking score (XP) Glide energy Glide emodel
4a − 7.35 − 59.84 − 80.02
4b − 7.28 − 56.66 − 83.06
4c − 7.26 − 48.51 − 80.93
4d − 7.37 − 57.01 − 81.29
4e − 7.9 − 62.78 − 92.94
4f − 8.19 − 60.83 − 88
4g − 7.81 − 66.62 − 85.31
4h − 7.03 − 57.46 − 80.99
4i − 7.77 − 61.28 − 85.58
4j − 7.77 − 57.26 − 87.24
4k − 7.05 − 55.46 − 78.16
4l − 7.52 − 57.63 − 88.4
4m − 6.01 − 64.76 − 92.76
4n − 6.6 − 61.97 − 87.16
4o − 6.6 − 56.48 − 84.56
4p − 7.66 − 50.89 − 77.65
4q − 6.19 − 59.74 − 81.1
4r − 6.61 − 59.19 − 84.84
4s − 6.91 − 61.1 − 78.29
4t − 7.28 − 61.13 − 85.76
4u − 7.33 − 57.56 − 84.96
  1. Italic values are the best active compounds (4d, 4f & 4g) with binding energy values like docking score, glide energies and emodel energies