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. 2022 Jul 11;2022:6600403. doi: 10.1155/2022/6600403

Table 3.

Molecular docking study between streptenol derivatives along with PIK3CA revealed their intermolecular docking scores.

Compound ID Ligscore Dreiding 1 Ligscore Dreiding 2 PLP1 PLP2 JAIN PMF Dock score
11769676-streptazolin 1.34 3.66 50.37 37.05 -0.56 40.84 47.889
132967417-streptenol F 2.34 4.34 68.81 67.67 -1.03 56.76 66.014
10947351-streptenol D 2.89 4.4 70.14 72.76 -0.82 38.44 66.355
15675440-streptenol B 3.21 4.28 71.24 83.57 0.23 44.59 67.926
10921190-streptenol C 1.97 3.53 71.93 77.56 -0.48 34.43 68.057
10609345-streptenol E 2.75 4.43 81.81 78.14 0 58.16 76.359
132967420-streptenol I 1.88 4.8 94.65 93.04 -0.77 68.86 88.275
132967418-streptenol G 1.41 3.49 94.71 95.23 -2.04 69.49 88.432
132967419-streptenol H 2.36 4.49 100.65 95.99 -1.3 76.04 96.081
FDA-approved inhibitor-alpelisib 2.16 4.32 98.59 91.62 -1.1 72.08 95.917