Simulation of Breaking Peptide

Oct 13, 2025 by pynkocean.com 104 views

Bioactive Peptide Potential of Globulin Protein 11s Salvia Hispanica L. Salvia Seeds as α-Glucosidase Inhibitors in Silico

Introduction

Diabetes mellitus is a metabolic disease characterized by chronic hyperglycemia, affecting millions of people worldwide. One therapeutic approach to controlling post-meal blood glucose levels is to use α-glucosidase inhibitors. These inhibitors work by slowing down the digestion of carbohydrates, thereby reducing the absorption of glucose into the bloodstream. In recent years, there has been a growing interest in using natural products as therapeutic agents, and bioactive peptides originating from 11S globulin protein in Salvia Hispanica L. Seeds have shown potential as a natural therapeutic agent that can be studied in silico.

The Importance of α-Glucosidase Inhibitors

α-Glucosidase inhibitors are a class of medications that work by inhibiting the enzyme α-glucosidase, which breaks down carbohydrates into simple sugars. By inhibiting this enzyme, α-glucosidase inhibitors can reduce the absorption of glucose into the bloodstream, thereby lowering post-meal blood glucose levels. This can be particularly beneficial for individuals with diabetes, as it can help to reduce the risk of complications associated with high blood sugar levels.

The Potential of Bioactive Peptides from Salvia Hispanica L. Seeds

Salvia Hispanica L. Seeds, also known as chia seeds, have been shown to have a number of potential health benefits, including reducing inflammation and improving cardiovascular health. Recent studies have also suggested that bioactive peptides originating from 11S globulin protein in Salvia Hispanica L. Seeds may have potential as α-glucosidase inhibitors. These peptides are produced through the breakdown of protein into smaller peptides, and have been shown to have a number of potential therapeutic effects.

Research Methods

This study aimed to predict the potential of bioactive peptides produced from Globulin Protein 11s Salvia Hispanica L. in the activity of antidiabetic by inhibiting α-glucosidase in silico. The research process was carried out through several stages, including:

Simulation of Breaking Peptide: Using peptidecutter to simulate protein breakdown into peptide.
Peptide Bioactivity Prediction: Using peptide rankers and biopep to evaluate the potential for biopeptide activity.
Physicochemical Properties Analysis: Using Lipinski’s Rule of Five to ensure peptide meets drug feasibility criteria.
Pharmacokinetic Analysis: Using Swissadme to study parameters such as absorption, distribution, metabolism, and excretion.
Toxicity and Allergicness: Using Toxinpred and Allertop to evaluate the safety of the resulting peptide.

Research Results

This study shows that as many as 49 peptides are predicted to have activity in reducing blood glucose levels. Of this amount, 47 peptides show high bioactivity, 31 peptides meet the physical parameters according to the lipinski’s rule of five, 19 peptides meet pharmacokinetic parameters, 174 peptides are declared non-toxic, and 83 non-allergic peptides.

Docking results indicate the binding affinity value between peptide and α-glucosidase inhibitors ranges from -3.280 to -6,876, with binding affinity values for the original ligands are -3,745, and the value for miglyitol ratio is -4,421.

Conclusion

The results of the study identified several peptides that were able to inhibit α-glucosidase, especially TF peptides with binding affinity values of -6.137. This peptide is produced through hydrolysis with pepsin enzymes obtained from expasy websites and interact with α-glucosidase through hydrogen bonds and hydrophobic interactions in Amino acid residues Leu756, HIS742, and THR764.

Benefits and Relevance

The potential of the bioactive peptide of Salvia Hispanica L. seeds as α-glucosidase inhibitors shows new expectations in handling diabetes mellitus. This study provides insight into the source of natural ingredients that can be developed further into alternative therapy in diabetes management. Through the In Silico method, this discovery is not only efficient and cost-effective but also opens a way for further studies on the therapeutic effects of other bioactive peptides that may be found in different natural sources.

Future Directions

This study highlights the potential of bioactive peptides from Salvia Hispanica L. Seeds as α-glucosidase inhibitors. Further studies are needed to confirm the efficacy and safety of these peptides in animal models and human clinical trials. Additionally, the development of new methods for the production and purification of these peptides is necessary to make them available for therapeutic use.

Conclusion

In conclusion, this study demonstrates the potential of bioactive peptides from Salvia Hispanica L. Seeds as α-glucosidase inhibitors. The results of this study provide new insights into the source of natural ingredients that can be developed further into alternative therapy in diabetes management. Further studies are needed to confirm the efficacy and safety of these peptides, and to develop new methods for their production and purification.

References

[1] Peptidecutter: A tool for simulating protein breakdown into peptide.
[2] Biopep: A tool for evaluating the potential for biopeptide activity.
[3] Lipinski’s Rule of Five: A set of rules for ensuring that a peptide meets drug feasibility criteria.
[4] Swissadme: A tool for studying parameters such as absorption, distribution, metabolism, and excretion.
[5] Toxinpred: A tool for evaluating the safety of a peptide.
[6] Allertop: A tool for evaluating the safety of a peptide.

Appendix

Table 1: List of peptides predicted to have activity in reducing blood glucose levels.
Table 2: List of peptides that meet the physical parameters according to the lipinski’s rule of five.
Table 3: List of peptides that meet pharmacokinetic parameters.
Table 4: List of peptides that are declared non-toxic.
Table 5: List of peptides that are declared non-allergic.
Q&A: Bioactive Peptide Potential of Globulin Protein 11s Salvia Hispanica L. Salvia Seeds as α-Glucosidase Inhibitors in Silico

Q: What is the significance of this study?

A: This study aims to predict the potential of bioactive peptides produced from Globulin Protein 11s Salvia Hispanica L. in the activity of antidiabetic by inhibiting α-glucosidase in silico. The results of this study provide new insights into the source of natural ingredients that can be developed further into alternative therapy in diabetes management.

Q: What are bioactive peptides?

A: Bioactive peptides are short chains of amino acids that have a biological effect on the body. They can be produced through the breakdown of protein into smaller peptides, and have been shown to have a number of potential therapeutic effects.

Q: What is the role of α-glucosidase inhibitors in diabetes management?

A: α-Glucosidase inhibitors are a class of medications that work by inhibiting the enzyme α-glucosidase, which breaks down carbohydrates into simple sugars. By inhibiting this enzyme, α-glucosidase inhibitors can reduce the absorption of glucose into the bloodstream, thereby lowering post-meal blood glucose levels.

Q: What are the benefits of using bioactive peptides from Salvia Hispanica L. Seeds as α-glucosidase inhibitors?

A: The potential of the bioactive peptide of Salvia Hispanica L. seeds as α-glucosidase inhibitors shows new expectations in handling diabetes mellitus. This study provides insight into the source of natural ingredients that can be developed further into alternative therapy in diabetes management. Through the In Silico method, this discovery is not only efficient and cost-effective but also opens a way for further studies on the therapeutic effects of other bioactive peptides that may be found in different natural sources.

Q: What are the limitations of this study?

A: This study was conducted in silico, which means that the results were predicted using computer simulations. While this method is efficient and cost-effective, it may not accurately reflect the results of in vivo studies. Further studies are needed to confirm the efficacy and safety of these peptides in animal models and human clinical trials.

Q: What are the potential applications of this study?

A: The results of this study provide new insights into the source of natural ingredients that can be developed further into alternative therapy in diabetes management. This study highlights the potential of bioactive peptides from Salvia Hispanica L. Seeds as α-glucosidase inhibitors, and suggests that further studies are needed to confirm the efficacy and safety of these peptides.

Q: What are the next steps in this research?

A: Further studies are needed to confirm the efficacy and safety of these peptides in animal models and human clinical trials. Additionally, the development of new methods for the production and purification of these peptides is necessary to make them available for therapeutic use.

Q: How can this study be applied to real-world scenarios?

Q: What are the potential risks and benefits of using bioactive peptides from Salvia Hispanica L. Seeds as α-glucosidase inhibitors?

A: The potential benefits of using bioactive peptides from Salvia Hispanica L. Seeds as α-glucosidase inhibitors include the potential to reduce the absorption of glucose into the bloodstream, thereby lowering post-meal blood glucose levels. However, further studies are needed to confirm the efficacy and safety of these peptides.

Q: How can this study be replicated or built upon?

Q: What are the implications of this study for the field of diabetes management?

Q: What are the potential applications of this study in the field of natural products?