Advances in Bioinformatics / 2017 / Article / Tab 5

Research Article

Computational Analysis of Gynura bicolor Bioactive Compounds as Dipeptidyl Peptidase-IV Inhibitor

Table 5

Lipinski’s rule of 5 analysis for ligands used in the study.

Compounds Lipinski’s rule of five
Molecular weightHydrogen bond donorHydrogen bond acceptorMolecular polar surface area (PSA)

5-O-Caffeoylquinic acid354.3169−0.45164.74
trans-5-p-Coumaroylquinic acid338.31580.04144.52
cis-5-p-Coumaroylquinic acid338.31580.04144.52
3,4-Dicaffeoylquinic acid516.467121.21211.28
3-Caffeoylquinic acid354.3169−0.45164.74

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