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. 2022 Aug 11;12(35):22448–22457. doi: 10.1039/d2ra00486k

The output compounds from fitting of the US-FDA approved database in the generated structure-based pharmacophore.

Compound name Structure RMSDX Rescoring
Tubercidin graphic file with name d2ra00486k-u1.jpg 0.7628 6.4849
N 6-Methyladenosine graphic file with name d2ra00486k-u2.jpg 0.7718 4.8280
Vidarabine graphic file with name d2ra00486k-u3.jpg 0.7545 4.9939
Rutin graphic file with name d2ra00486k-u4.jpg 0.7872 3.5647
Orientin graphic file with name d2ra00486k-u5.jpg 0.9484 5.0431
Shikonin graphic file with name d2ra00486k-u6.jpg 1.0092 3.8107
Remdesivir graphic file with name d2ra00486k-u7.jpg 0.2963 5.2112