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Molecular docking and efficacy of Aloe vera gel based on chitosan nanoparticles against Helicobacter pylori and its antioxidant and anti-inflammatory activities.

Yahya, Reham, Al-Rajhi, Aisha M. H., Alzaid, Saleh Zaid, Al Abboud, Mohamed A., Almuhayawi, Mohammed S., Al Jaouni, Soad K., Selim, Samy, Ismail, Khatib Sayeed, Abdelghany, Tarek M.·2022·Polymers
DOI 10.3390/polym14152994PMC PMC9330094
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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.

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Figure 1 A. vera leaf showing outer green rind and viscous clear liquid (gel).
Figure 1 A. vera leaf showing outer green rind and viscous clear liquid (gel).CC BY · PubMed Central
Figure 2 HPLC chromatograms of detected flavonoids and phenolic acids content of A. vera gel extract.
Figure 2 HPLC chromatograms of detected flavonoids and phenolic acids content of A. vera gel extract.CC BY · PubMed Central
Figure 3 UV–vis spectra of CSNPs and A. vera gel incorporated with CSNPs.
Figure 3 UV–vis spectra of CSNPs and A. vera gel incorporated with CSNPs.CC BY · PubMed Central
Figure 4 TEM of synthesized A. vera gel incorporated with CSNPs (A), CSNPs (B), and diameter of some particles (C).
Figure 4 TEM of synthesized A. vera gel incorporated with CSNPs (A), CSNPs (B), and diameter of some particles (C).CC BY · PubMed Central
Figure 5 FTIR spectra of A. vera gel.
Figure 5 FTIR spectra of A. vera gel.CC BY · PubMed Central
Figure 6 FTIR spectra of CSNPs.
Figure 6 FTIR spectra of CSNPs.CC BY · PubMed Central
Figure 7 FTIR spectra of A. vera gel incorporated to CSNPs.
Figure 7 FTIR spectra of A. vera gel incorporated to CSNPs.CC BY · PubMed Central
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 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.CC BY · PubMed Central
Figure 9 Antioxidant activity of A. vera gel and A. vera gel incorporated with CSNPs.
Figure 9 Antioxidant activity of A. vera gel and A. vera gel incorporated with CSNPs.CC BY · PubMed Central
Figure 10 Hemolysis inhibition (%) of A. vera gel, A. vera gel incorporated with CSNPs, and indomethacin.
Figure 10 Hemolysis inhibition (%) of A. vera gel, A. vera gel incorporated with CSNPs, and indomethacin.CC BY · PubMed Central
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 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).CC BY · PubMed Central
Figure 12 The representative key for the types of interaction between chitosan and pyrocatechol.
Figure 12 The representative key for the types of interaction between chitosan and pyrocatechol.CC BY · PubMed Central

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Metadata

Authors
Yahya, R., Al-Rajhi, A. M. H., Alzaid, S. Z., Al Abboud, M. A., Almuhayawi, M. S., Al Jaouni, S. K., Selim, S., Ismail, K. S., & Abdelghany, T. M.
Affiliations
  • Basic Sciences Department, College of Science and Health Professions, King Saud Bin Abdulaziz University for Health Sciences, Riyadh 11671, Saudi Arabia
  • Department of Biology, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia
  • Assistant Agency for Preventive Health, Ministry of Health, Riyadh 11671, Saudi Arabia
  • Biology Department Faculty of Science, Jazan University, Jazan 45142, Saudi Arabia
  • Department of Medical Microbiology and Parasitology, Faculty of Medicine, King Abdulaziz University, Jeddah 21589, Saudi Arabia
  • Department of Hematology/Oncology, Yousef Abdulatif Jameel Scientific Chair of Prophetic Medicine Application, Faculty of Medicine, King Abdulaziz University, Jeddah 21589, Saudi Arabia
  • Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf University, Sakaka 72341, Saudi Arabia
  • Botany and Microbiology Department, Faculty of Science, Al-Azhar University, Cairo 71524, Egypt
ORCID
Venue
Polymers
Publisher
MDPI AG
Published
2022-07-24
Volume
14
Issue
15
Pages
2994
ISSN
2073-4360
DOI
10.3390/polym14152994
PMC
PMC9330094
Cited by
110
References
0
Language
en
Licence
creativecommons.org/licenses/by/4.0/ (vor)

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Yahya, R., Al-Rajhi, A. M. H., Alzaid, S. Z., Al Abboud, M. A., Almuhayawi, M. S., Al Jaouni, S. K., Selim, S., Ismail, K. S., & Abdelghany, T. M. (2022). Molecular docking and efficacy of Aloe vera gel based on chitosan nanoparticles against Helicobacter pylori and its antioxidant and anti-inflammatory activities. Polymers. https://doi.org/10.3390/polym14152994

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