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. 2021 Jul 24;136:104683. doi: 10.1016/j.compbiomed.2021.104683

Table 8.

Bioactivity score prediction of selected bioactive compounds from Ayurvedic medicinal plants using Molinspiration cheminformatics online software.

Compound Name GPCR ligand Ion channel modulator Kinase inhibitor Nuclear receptor ligand Protease inhibitor Enzyme inhibitor
Amritoside −0.17 −0.67 −0.28 −0.38 −0.05 0.02
Pectolinarin −0.13 −0.69 −0.24 −0.39 −0.13 −0.03
Astragalin 0.06 −0.05 0.10 0.20 −0.05 0.41
Apigenin-6-C-glucosyl7-O-glucoside −0.53 −1.42 −1.01 −0.91 −0.30 −0.52
7-Ketositosterol 0.11 −0.03 −0.69 0.72 0.12 0.56
Remdesivir 0.27 −0.35 0.20 −0.48 0.49 0.38

Highly active (more than 0.00); abstemiously active (between −0.50 and 0.00); inactive (less than −0.50).