Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach
Introduction: Oxidative stress contributes to hyperglycaemia by inducing the hyperactivity of alpha-amylase (AA) and alpha-glucosidase (AG) enzymes. The study aimed to evaluate the antioxidant and anti-glycoside hydrolase potential of a novel polyherbal formulation (Herb5GluCon) and identify its phy...
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Elsevier
2025-02-01
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| Series: | Phytomedicine Plus |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667031324001908 |
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| author | Abbirami Balachandran Patrick N. Okechukwu Baskaran Gunasekaran Jeleń Małgorzata Beata Morak-Młodawska Gabriele R.A. Froemming Sameer Sapra Charlie A. Lavilla, Jr. Merell P. Billacura Salini D. Rajendran Anis Najwa Abdul Rani Anand Gaurav |
| author_facet | Abbirami Balachandran Patrick N. Okechukwu Baskaran Gunasekaran Jeleń Małgorzata Beata Morak-Młodawska Gabriele R.A. Froemming Sameer Sapra Charlie A. Lavilla, Jr. Merell P. Billacura Salini D. Rajendran Anis Najwa Abdul Rani Anand Gaurav |
| author_sort | Abbirami Balachandran |
| collection | DOAJ |
| description | Introduction: Oxidative stress contributes to hyperglycaemia by inducing the hyperactivity of alpha-amylase (AA) and alpha-glucosidase (AG) enzymes. The study aimed to evaluate the antioxidant and anti-glycoside hydrolase potential of a novel polyherbal formulation (Herb5GluCon) and identify its phytoconstituents. Methods: The in silico molecular docking of the compounds were performed using AutoDock Vina 1.2.0. The in vitro antioxidant activity of Herb5GluCon was evaluated using chemical assays and cellular ROS determination assay while AA and AG inhibition assays were performed to evaluate its in vitro anti-glycoside hydrolase activity. The bioactive compounds present in Herb5GluCon was identified using high-resolution mass spectrometry (HRMS) and these compounds were subjected to ADME analysis using the SwissADME, pkCSM and SwissTargetPrediction servers. Results: All compounds showed strong binding energies to AA and AG. The antioxidant assays revealed a strong radical-scavenging property of Herb5GluCon with strong IC50 values, respectively. Similarly, the enzyme inhibition assays also proved the potent inhibitory effect of Herb5GluCon with strong IC50 values. The HRMS identified 20 compounds to which, the ADME profiling of all compounds revealed high drug-likeness profiles with a strong target interaction to enzymes including AA and AG. Conclusion: Herb5GluCon showed promising in vitro antioxidant and anti-glycoside hydrolase activities which served as a basis of understanding to conduct further research of evaluating the therapeutic potential of Herb5GluCon and its phytoconstituents in the treatment of diabetes and its associated complications. |
| format | Article |
| id | doaj-art-17f8977f351a4f51823cc7ddb094b9ad |
| institution | Kabale University |
| issn | 2667-0313 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Phytomedicine Plus |
| spelling | doaj-art-17f8977f351a4f51823cc7ddb094b9ad2025-02-10T04:35:16ZengElsevierPhytomedicine Plus2667-03132025-02-0151100716Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approachAbbirami Balachandran0Patrick N. Okechukwu1Baskaran Gunasekaran2Jeleń Małgorzata3Beata Morak-Młodawska4Gabriele R.A. Froemming5Sameer Sapra6Charlie A. Lavilla, Jr.7Merell P. Billacura8Salini D. Rajendran9Anis Najwa Abdul Rani10Anand Gaurav11Department of Biotechnology, Faculty of Applied Sciences, UCSI University, 56000 Cheras, Kuala Lumpur, MalaysiaDepartment of Biotechnology, Faculty of Applied Sciences, UCSI University, 56000 Cheras, Kuala Lumpur, Malaysia; Corresponding author at: Department of Biotechnology, Faculty of Applied Sciences, UCSI University, 56000 Cheras, Kuala Lumpur, MalaysiaDepartment of Biotechnology, Faculty of Applied Sciences, UCSI University, 56000 Cheras, Kuala Lumpur, MalaysiaDepartment of Organic Chemistry, Faculty of Pharmaceutical Sciences, Medical University of Silesia, Jagiellońska, Str. 4, 41-200 Sosnowiec, PolandDepartment of Organic Chemistry, Faculty of Pharmaceutical Sciences, Medical University of Silesia, Jagiellońska, Str. 4, 41-200 Sosnowiec, PolandBasic Medical Sciences, Faculty of Health and Medical Sciences, Universiti Malaysia Sarawak (UNIMAS), Kota Samarahan 94300, Sarawak, MalaysiaPhysic Herbal Pvt Ltd., Sector 10 Panchkula, Haryana, IndiaChemistry Department, College of Science & Mathematics, Mindanao State University-Iligan Institute of Technology, Iligan City 9200, Lanao del Norte, PhilippinesDepartment of Chemistry, College of Natural Sciences and Mathematics, Mindanao State University-Main Campus, Marawi City 9700, Lanao del Sur, PhilippinesFaculty of Social Sciences and Leisure Management, School of Food Studies and Gastronomy, Taylor's University Lakeside Campus, 47500 Subang Jaya, Selangor, MalaysiaFaculty of Pharmaceutical Sciences, UCSI University, 56000 Cheras, Kuala Lumpur, MalaysiaFaculty of Pharmaceutical Sciences, UCSI University, 56000 Cheras, Kuala Lumpur, MalaysiaIntroduction: Oxidative stress contributes to hyperglycaemia by inducing the hyperactivity of alpha-amylase (AA) and alpha-glucosidase (AG) enzymes. The study aimed to evaluate the antioxidant and anti-glycoside hydrolase potential of a novel polyherbal formulation (Herb5GluCon) and identify its phytoconstituents. Methods: The in silico molecular docking of the compounds were performed using AutoDock Vina 1.2.0. The in vitro antioxidant activity of Herb5GluCon was evaluated using chemical assays and cellular ROS determination assay while AA and AG inhibition assays were performed to evaluate its in vitro anti-glycoside hydrolase activity. The bioactive compounds present in Herb5GluCon was identified using high-resolution mass spectrometry (HRMS) and these compounds were subjected to ADME analysis using the SwissADME, pkCSM and SwissTargetPrediction servers. Results: All compounds showed strong binding energies to AA and AG. The antioxidant assays revealed a strong radical-scavenging property of Herb5GluCon with strong IC50 values, respectively. Similarly, the enzyme inhibition assays also proved the potent inhibitory effect of Herb5GluCon with strong IC50 values. The HRMS identified 20 compounds to which, the ADME profiling of all compounds revealed high drug-likeness profiles with a strong target interaction to enzymes including AA and AG. Conclusion: Herb5GluCon showed promising in vitro antioxidant and anti-glycoside hydrolase activities which served as a basis of understanding to conduct further research of evaluating the therapeutic potential of Herb5GluCon and its phytoconstituents in the treatment of diabetes and its associated complications.http://www.sciencedirect.com/science/article/pii/S2667031324001908Polyherbal formulationMass spectrometryAntioxidantAnti-glycoside hydrolaseOxidative stressHyperglycaemia |
| spellingShingle | Abbirami Balachandran Patrick N. Okechukwu Baskaran Gunasekaran Jeleń Małgorzata Beata Morak-Młodawska Gabriele R.A. Froemming Sameer Sapra Charlie A. Lavilla, Jr. Merell P. Billacura Salini D. Rajendran Anis Najwa Abdul Rani Anand Gaurav Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach Phytomedicine Plus Polyherbal formulation Mass spectrometry Antioxidant Anti-glycoside hydrolase Oxidative stress Hyperglycaemia |
| title | Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach |
| title_full | Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach |
| title_fullStr | Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach |
| title_full_unstemmed | Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach |
| title_short | Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach |
| title_sort | herb5glucon a novel polyherbal formulation with dual action inhibiting properties against oxidative stress and glycoside hydrolases an in silico and in vitro approach |
| topic | Polyherbal formulation Mass spectrometry Antioxidant Anti-glycoside hydrolase Oxidative stress Hyperglycaemia |
| url | http://www.sciencedirect.com/science/article/pii/S2667031324001908 |
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