Figure 5

Druggability analysis of phytochemicals in IMPPAT database. (a) Evaluation of drug-likeliness of phytochemicals based on multiple scores. The horizontal bar plot shows the number of phytochemicals in the IMPPAT database that satisfy different druggability scores (Methods). The vertical bar plot shows the overlap between sets of phytochemicals that satisfy different druggability scores. The pink bar in the vertical plot gives the 960 phytochemicals which satisfy all druggability scores. This plot was generated using UpSetR¹⁰⁵ package. (b) Classification of the 960 druggable phytochemicals into chemical super-classes obtained from ClassyFire⁵⁰. (c) Distribution of QEDw⁹¹ scores for the 960 IMPPAT phytochemicals which satisfy all druggability scores. (d) Venn diagrams summarizing structural similarity analysis of 960 druggable phytochemicals in IMPPAT database and FDA approved drugs. Based on ECFP4 and MACCS keys molecular fingerprints, 249 and 302 druggable phytochemicals, respectively, were found to be similar to FDA approved drugs.