Bigel formulations of St. John’s wort extract in wound healing: toxicological aspects

Figures & data

Figure 1. Chemical structure of HP (parent molecule).

Table 1. Numbers and structure of predicted metabolites of HP obtained via ‘skin metabolism’ simulator.

1	2	3	4	5

Table 2. In silico-predicted binding of HP metabolites to DNA, proteins, and protein binding for skin sensitization.

	DNA binding	Protein binding	Protein binding for skin sensitization
Structural alert	No alert found	No alert found for metabolites No. 2 and 4. 1, 2-dicarbonyls and 1, 3-dicarbonyls for metabolites No. 1, 3, and 5.	No alert found
Mechanistic alert	–	Direct acting Schiff base formers	–
Mechanistic domain	–	Schiff base formation	–

Table 3. Carcinogenicity (genotoxic and nongenotoxic), in vitro mutagenicity (Ames test), and in vivo mutagenicity (Ames test) of HP metabolites predicted via in silico studies.

	Carcinogenicity (genotoxic and nongenotoxic)	In vitro mutagenicity (Ames test)	In vivo mutagenicity (Ames test)
Structural alert	No alert found	No alert found	H-acceptor-path3-H-acceptor for metabolite No. 1–5

Figure 2. Plasma oxidative status parameters of healthy unwounded animals (C), nontreated wounded animals (negative control; G0), animals treated with a commercially available product (positive control; G1), animals treated with bigel containing St. John’s wort extract rich in hyperforin (G2), and animals treated with bigel containing nanoencapsulated hyperforin-rich St. John’s wort extract (loaded in nanostructured lipid carriers) (G3). Results are obtained at the 2nd, 7th, 14th, and 21st post-operative days. Subfigure a represents the antioxidant capacity measured by the ABTS method, and Subfigure B represents the MDA concentration. Asterisks and letters indicate statistically significant differences: * vs. C; a vs. G0, b vs. G1, and c vs. G2. Values are means ± SD (n = 3).

Figure 3. Structural alert for H-acceptor-path3-H-acceptor. Any atom except hydrogen is marked as ‘A,’ and ‘H-bond-Acc’ represents any atom that is a potential hydrogen bond acceptor.

Data availability statement

All data are available from the corresponding author upon reasonable request.