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 <i>Aloe vera</i> gel has become promising in pharmaceutical and cosmetic applications particularly with the development of the nanotechnology concept. Nowadays, effective <i>H. pylori</i> 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 <i>H. pylori</i>. HPLC analysis of <i>A. vera</i> 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 <i>A. vera</i> 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, <i>A. vera</i> gel, and <i>A. vera</i> gel incorporated with CSNPs. Two strains of <i>H. pylori</i> were inhibited using <i>A. vera</i> gel with inhibition zones of 16 and 16.5 mm, while <i>A. vera</i> 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 <i>A. vera</i> gel and <i>A. vera</i> gel incorporated with CSNPs, respectively, against the resistance strain. DPPH Scavenging (%) of the antioxidant activity exhibited an IC₅₀ of 138.82 μg/mL using <i>A.vera</i> gel extract, and 81.7 μg/mL when <i>A.vera</i> gel was incorporated with CSNPs. <i>A.vera</i> gel incorporated with CSNPs enhanced the hemolysis inhibition (%) compared to using <i>A.vera</i> gel alone. Molecular docking studies through the interaction of chlorogenic acid and pyrocatechol as the main components of <i>A. vera</i> gel and CSNPs with the crystal structure of the <i>H. pylori</i> (4HI0) protein supported the results of anti-<i>H. pylori</i> activity.