FactoMineR-based multivariate analysis and SwissADME profiling of medicinal plants against cutaneous leishmaniasis

Abstract

Background

To investigate medicinal plants used in the traditional treatment of cutaneous leishmaniasis using multivariate tests coupled with pharmacokinetic predictions in silico.

Main body

Interviews were conducted with 21 herbalists in Annaba and El Tarf provinces. The dataset comprised 26 variables, and multidimensional analyses were applied using the FactoMineR package. Nineteen species were reported in this survey. Among them, the most important family was Lamiaceae, with five species. According to the RFC index, the most famous species were the aerial parts of Teucrium polium L. (57.14%).

Second, a data matrix for the species generated showed higher contribution values in the first dimension owing to the lack of the topical administration form, the presence of preparation mode by decoction and cataplasm, and the association of medicinal plants specifically with olive oil and honey, respectively. The analysis of the first dimension demonstrated a high association for the form of administration and the mode of administration, with correlation ratios η² of 6.261E-01, 5.501E-01, and 4.772E-01 (p < 0.05), respectively. The cluster analysis identified three clusters differentiated by the administration form per os with a p-value of 7.49E-05 (p < 0.05). Later, the ADME profile was tested in silico by identifying the physicochemical properties of the major compounds reported in the literature.

Conclusions

The results showed that the major compounds of plants with high RFC showed excellent ADME profiles, with good absorption, low toxicity, and favorable distribution, making them promising candidates for the safe treatment of leishmaniasis.