Preparation of Ligands and Receptors

Oct 13, 2025 by wbrum.org 36 views

Analysis in Silico: The Content of Phenol and Triterpenoid Compounds from Gotu Kola Plants (Centella Asiatica L. (Urb)) Against the Enzyme Catalase as Antitukak Gastric

Introduction

Gastric ulcer disease is a common health problem in the digestive tract with a high level of prevalence. One of the factors that contribute to the emergence of gastric ulcers is oxidative stress, which occurs due to an imbalance between free radicals and the body's ability to deny it. In this case, antioxidants play an important role in reducing the negative impact of oxidative stress. One endogenous antioxidant enzyme that functions to protect the body from excessive oxidation is catalase. Gotu kola, or centella asiatica, known to be rich in phenol and triterpenoid compounds that have the potential to increase the activity of the catalase enzyme, so that it can function as an agent to prevent stomach ulcers.

The Importance of Catalase Enzyme in Gastric Ulcer Prevention

Catalase is an enzyme that plays a crucial role in protecting the body from oxidative stress. It functions by converting hydrogen peroxide into water and oxygen, thereby reducing the negative impact of free radicals on the body. In the context of gastric ulcer prevention, catalase enzyme is essential in reducing the oxidative stress that contributes to the emergence of gastric ulcers. Therefore, any compound that can increase the activity of catalase enzyme has the potential to prevent stomach ulcers.

Gotu Kola: A Potential Source of Natural Medicine

Gotu kola, or centella asiatica, is a plant that has been used for centuries in traditional medicine. It is known to be rich in phenol and triterpenoid compounds that have been shown to have antioxidant properties. These compounds have the potential to increase the activity of catalase enzyme, thereby reducing the negative impact of oxidative stress on the body. In this study, we aim to explore whether the content of phenol and triterpenoid compounds in gotu kola plants can meet the parameters of the physical-chemical properties of the catalase enzyme and have the ability to bind to the catalase enzyme in silico as an effort to prevent stomach ulcers.

Methodology

In this study, we used a combination of in silico and in vitro methods to explore the potential of gotu kola compounds as antitukak gastric agents. The method used includes:

Drug Feasibility Testing: We used the Swissadme site to carry out drug feasibility testing of the compounds extracted from gotu kola plants.
Preparation of Ligands and Receptors: We used the autodock tools software to prepare the ligands and receptors for molecular docking.
Molecular Docking: We used the autodock vina software to carry out molecular docking of the compounds extracted from gotu kola plants with the catalase receptor.
Visualization of Results: We used the pymol software to visualize the results of molecular docking.
Further Analysis: We used the ligplot+ software to further analyze the results of molecular docking.

Results

The results of this study showed that phenol and triterpenoid compounds from gotu kola plants, such as asiatic acid, castilliceetin, and quercetin, have a stronger interaction with catalase receptors compared to comparative compounds, namely metformin. This can be seen from the more negative docking score, which shows a stronger bond. For example, the castillicetin compound shows a docking score of -10.6 ± 0.00 kcal/mol, while metformin is only -5.5 ± 0.00 kcal/mol.

Discussion

The results of this study suggest that phenol and triterpenoid compounds contained in gotu kola plants have the potential as an antitukak gastric agent. With a lower docking score compared to comparative compounds, gotu kola shows promising potential as a source of natural medicine to prevent and treat stomach ulcers. This finding opens opportunities for further research on the development of gotu kola-based drugs that can be used in anti-peptic Ulcer therapy.

Conclusion

In conclusion, this study has demonstrated the potential of gotu kola compounds as antitukak gastric agents. The results of this study suggest that phenol and triterpenoid compounds contained in gotu kola plants have the potential to increase the activity of catalase enzyme, thereby reducing the negative impact of oxidative stress on the body. Further research is needed to explore the potential of gotu kola-based drugs in the prevention and treatment of stomach ulcers.

Future Directions

This study opens opportunities for further research on the development of gotu kola-based drugs that can be used in anti-peptic Ulcer therapy. Future studies should aim to explore the potential of gotu kola compounds in reducing the oxidative stress that contributes to the emergence of gastric ulcers. Additionally, further research is needed to explore the potential of gotu kola-based drugs in the prevention and treatment of other diseases that are associated with oxidative stress.

References

[1] Bank Data Protein (GDP). (2023). Catalase receptor (1DGF).
[2] PubChem. (2023). Model two and three dimensions of tested compounds and reference compounds.
[3] Swissadme. (2023). Drug feasibility testing.
[4] Autodock Tools. (2023). Preparation of ligands and receptors.
[5] Autodock Vina. (2023). Molecular docking.
[6] Pymol. (2023). Visualization of results.
[7] Ligplot+. (2023). Further analysis.
Q&A: Analysis in Silico The Content of Phenol and Triterpenoid Compounds from Gotu Kola Plants (Centella Asiatica L. (Urb)) Against the Enzyme Catalase as Antitukak Gastric

Q: What is the purpose of this study?

A: The purpose of this study is to explore the potential of gotu kola compounds as antitukak gastric agents. We aim to investigate whether the content of phenol and triterpenoid compounds in gotu kola plants can meet the parameters of the physical-chemical properties of the catalase enzyme and have the ability to bind to the catalase enzyme in silico as an effort to prevent stomach ulcers.

Q: What is catalase enzyme and why is it important in gastric ulcer prevention?

A: Catalase is an enzyme that plays a crucial role in protecting the body from oxidative stress. It functions by converting hydrogen peroxide into water and oxygen, thereby reducing the negative impact of free radicals on the body. In the context of gastric ulcer prevention, catalase enzyme is essential in reducing the oxidative stress that contributes to the emergence of gastric ulcers.

Q: What are phenol and triterpenoid compounds, and how do they relate to gotu kola plants?

A: Phenol and triterpenoid compounds are types of compounds that are found in gotu kola plants. These compounds have been shown to have antioxidant properties and have the potential to increase the activity of catalase enzyme, thereby reducing the negative impact of oxidative stress on the body.

Q: What methods were used in this study to explore the potential of gotu kola compounds as antitukak gastric agents?

A: We used a combination of in silico and in vitro methods to explore the potential of gotu kola compounds as antitukak gastric agents. The methods used include:

Drug Feasibility Testing: We used the Swissadme site to carry out drug feasibility testing of the compounds extracted from gotu kola plants.
Preparation of Ligands and Receptors: We used the autodock tools software to prepare the ligands and receptors for molecular docking.
Molecular Docking: We used the autodock vina software to carry out molecular docking of the compounds extracted from gotu kola plants with the catalase receptor.
Visualization of Results: We used the pymol software to visualize the results of molecular docking.
Further Analysis: We used the ligplot+ software to further analyze the results of molecular docking.

Q: What were the results of this study, and what do they mean?

A: The results of this study showed that phenol and triterpenoid compounds from gotu kola plants, such as asiatic acid, castilliceetin, and quercetin, have a stronger interaction with catalase receptors compared to comparative compounds, namely metformin. This can be seen from the more negative docking score, which shows a stronger bond. For example, the castillicetin compound shows a docking score of -10.6 ± 0.00 kcal/mol, while metformin is only -5.5 ± 0.00 kcal/mol.

Q: What are the implications of this study, and what are the potential applications of gotu kola-based drugs?

A: The results of this study suggest that phenol and triterpenoid compounds contained in gotu kola plants have the potential as an antitukak gastric agent. With a lower docking score compared to comparative compounds, gotu kola shows promising potential as a source of natural medicine to prevent and treat stomach ulcers. This finding opens opportunities for further research on the development of gotu kola-based drugs that can be used in anti-peptic Ulcer therapy.

Q: What are the limitations of this study, and what are the potential areas for future research?

A: This study has several limitations, including the use of in silico methods to explore the potential of gotu kola compounds as antitukak gastric agents. Future studies should aim to explore the potential of gotu kola compounds in reducing the oxidative stress that contributes to the emergence of gastric ulcers. Additionally, further research is needed to explore the potential of gotu kola-based drugs in the prevention and treatment of other diseases that are associated with oxidative stress.

Q: What are the potential benefits of using gotu kola-based drugs in the prevention and treatment of stomach ulcers?

A: The potential benefits of using gotu kola-based drugs in the prevention and treatment of stomach ulcers include:

Reduced oxidative stress: Gotu kola-based drugs have the potential to reduce oxidative stress, which is a major contributor to the emergence of gastric ulcers.
Improved catalase enzyme activity: Gotu kola-based drugs have the potential to increase the activity of catalase enzyme, which is essential in reducing the negative impact of oxidative stress on the body.
Natural and non-invasive treatment: Gotu kola-based drugs are a natural and non-invasive treatment option for stomach ulcers, which can be beneficial for patients who are looking for alternative treatment options.

Q: What are the potential risks and side effects of using gotu kola-based drugs in the prevention and treatment of stomach ulcers?

A: The potential risks and side effects of using gotu kola-based drugs in the prevention and treatment of stomach ulcers include:

Allergic reactions: Some patients may experience allergic reactions to gotu kola-based drugs, which can be severe in some cases.
Interactions with other medications: Gotu kola-based drugs may interact with other medications, which can increase the risk of side effects.
Unknown long-term effects: The long-term effects of using gotu kola-based drugs in the prevention and treatment of stomach ulcers are not yet fully understood.