Molecular Docking and Efficacy of Aloe vera Gel Based on Chitosan Nanoparticles against Helicobacter pylori and Its Antioxidant and Anti-Inflammatory Activities

Abstract

The medicinal administration of Aloe vera gel has become promising in pharmaceutical and cosmetic applications particularly with the development of the nanotechnology concept. Nowadays, effective H. pylori treatment is a global problem; therefore, the development of natural products with nanopolymers such as chitosan nanoparticles (CSNPs) could represent a novel strategy for the treatment of gastric infection of H. pylori. HPLC analysis of A. vera gel indicated the presence of chlorogenic acid as the main constituent (1637.09 µg/mL) with other compounds pyrocatechol (1637.09 µg/mL), catechin (1552.92 µg/mL), naringenin (528.78 µg/mL), rutin (194.39 µg/mL), quercetin (295.25 µg/mL), and cinnamic acid (37.50 µg/mL). CSNPs and A. vera gel incorporated with CSNPs were examined via TEM, indicating mean sizes of 83.46 nm and 36.54 nm, respectively. FTIR spectra showed various and different functional groups in CSNPs, A. vera gel, and A. vera gel incorporated with CSNPs. Two strains of H. pylori were inhibited using A. vera gel with inhibition zones of 16 and 16.5 mm, while A. vera gel incorporated with CSNPs exhibited the highest inhibition zones of 28 and 30 nm with resistant and sensitive strains, respectively. The minimal inhibitory concentration (MIC) was 15.62 and 3.9 µg/mL, while the minimal bactericidal concentration (MBC) was 15.60 and 7.8 µg/mL with MBC/MIC 1 and 2 indexes using A. vera gel and A. vera gel incorporated with CSNPs, respectively, against the resistance strain. DPPH Scavenging (%) of the antioxidant activity exhibited an IC₅₀ of 138.82 μg/mL using A.vera gel extract, and 81.7 μg/mL when A.vera gel was incorporated with CSNPs. A.vera gel incorporated with CSNPs enhanced the hemolysis inhibition (%) compared to using A.vera gel alone. Molecular docking studies through the interaction of chlorogenic acid and pyrocatechol as the main components of A. vera gel and CSNPs with the crystal structure of the H. pylori (4HI0) protein supported the results of anti-H. pylori activity.

Keywords: Aloe vera; Helicobacter pylor; chitosan nanoparticles; evaluation; in vitro; therapeutic effects.

Figure 1

A. vera leaf showing outer green rind and viscous clear liquid (gel).

Figure 2

HPLC chromatograms of detected flavonoids and phenolic acids content of A. vera gel extract.

Figure 3

UV–vis spectra of CSNPs and A. vera gel incorporated with CSNPs.

Figure 4

TEM of synthesized A. vera gel incorporated with CSNPs (A), CSNPs (B), and diameter of some particles (C).

Figure 5

FTIR spectra of A. vera gel.

Figure 6

FTIR spectra of CSNPs.

Figure 7

FTIR spectra of A. vera gel incorporated to CSNPs.

Figure 8

Inhibitory action of A. vera gel incorporated with CSNPs (1), A. vera gel (2), positive control (3), CSNPs (4), and acetic acid (5) against resistant strain (A) and sensitive strain (B) of Helicobacter pylori.

Figure 9

Antioxidant activity of A. vera gel and A. vera gel incorporated with CSNPs.

Figure 10

Hemolysis inhibition (%) of A. vera gel, A. vera gel incorporated with CSNPs, and indomethacin.

Figure 11

Docking interactions of certain compounds of A. vera gel extract.2D and 3D diagrams show the interaction between chlorogenic acid and active sites of 4HI0 protein (A); 2D and 3D diagrams show the interaction between chitosan and active sites of 4HI0 protein (B); 2D and 3D diagrams show the interaction between pyrocatechol and active sites of 4HI0 protein (C).

Figure 12

The representative key for the types of interaction between chitosan and pyrocatechol.