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Table 1 The number of active and inactive compounds for each target protein are summarized

From: Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development

Biological activityNPASSb Target IDNo. of active compoundscNo. of inactive compoundsdNo. of total compounds with ring structureseNo. of total compounds without ring structuresf
Protein-tyrosine phosphatase 1B inhibitorsNPT178811712523
Acetylcholinesterase inhibitorsNPT204541081624
Aldose reductase inhibitorsNPT6857681253
Beta-secretase 1 inhibitorsNPT74035731081
Cyclooxygenase-2 inhibitorsNPT313162931
Butyrylcholinesterase inhibitorsNPT4392853811
Cyclooxygenase-1 inhibitorsNPT3242749760
  1. Seven target proteins were selected from NPASS DBa together with active and inactive compounds for each target protein
  2. aFrom Natural Product Activity & Species Source Database (NPASS DB), seven biological activities along with related protein targets were selected
  3. bTarget ID code of the NPASS DB with which one can access protein information (“NPASS Target ID”)
  4. cThe number of active natural compounds with ring structures obtained with the experimental inhibitory assay (“No. of active compounds”)
  5. dThe number of inactive natural compounds with ring structures obtained with the experimental inhibitory assay (“No. of inactive compounds”)
  6. eThe total number of natural compounds with ring structures used for the model development (“No. of total compounds with ring structures”)
  7. fThe total number of natural compounds without ring structures (“No. of total compounds without ring structures”)