Inhibitory and in silico molecular docking of Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa phytochemical compounds on human α-glucosidases
Ethnopharmacological relevance Herbal traditional medicine is used by millions of people in Africa for treatment of ailments such as diabetes mellitus, stomach disorders and respiratory diseases. Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa (X. stuhlmannii (Taub.)) is a medicinal plan...
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2023
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| Online Access: | https://cris.library.msu.ac.zw//handle/11408/5647 https://doi.org/10.1016/j.jep.2023.116501 |
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| author | Brilliant Nyathi Jonathan Tatenda Bvunzawabaya Chido Venissa P Mudawarima Emily Manzombe Kudakwashe Tsotsoro Major Allen Selemani Gadzikano Munyuki Freeborn Rwere |
| author2 | Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe |
| author_facet | Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe Brilliant Nyathi Jonathan Tatenda Bvunzawabaya Chido Venissa P Mudawarima Emily Manzombe Kudakwashe Tsotsoro Major Allen Selemani Gadzikano Munyuki Freeborn Rwere |
| author_sort | Brilliant Nyathi |
| collection | DSpace |
| description | Ethnopharmacological relevance
Herbal traditional medicine is used by millions of people in Africa for treatment of ailments such as diabetes mellitus, stomach disorders and respiratory diseases. Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa (X. stuhlmannii (Taub.)) is a medicinal plant used traditionally in Zimbabwe to treat type 2 diabetes mellitus (T2DM) and its complications. However, there is no scientific evidence to support its inhibitory effect against digestive enzymes (α-glucosidases) that are linked to high blood sugar in humans.
Aim of the study
This work aims to investigate whether bioactive phytochemicals of crude X. stuhlmannii (Taub.) can scavenge free radicals and inhibit α-glucosidases in order to reduce blood sugar in humans.
Materials and methods
Here we examined the free radical scavenging potential of crude aqueous, ethyl acetate and methanolic extracts of X. stuhlmannii (Taub.) using the diphenyl-2-picrylhydrazyl assay in vitro. Furthermore, we carried out in vitro inhibition of α-glucosidases (α-amylase and α-glucosidase) by the crude extracts using chromogenic 3,5-dinitrosalicylic acid and p-nitrophenyl-α-D-glucopyranoside substrates. We also used molecular docking approaches (Autodock Vina) to screen for bioactive phytochemical compounds targeting the digestive enzymes.
Results
Our results showed that phytochemicals in X. stuhlmannii (Taub.) aqueous, ethyl acetate and methanolic extracts scavenged free radicals with IC50 values ranging from 0.002 to 0.013 μg/mL. Furthermore, crude aqueous, ethyl acetate and methanolic extracts significantly inhibited α-amylase and α-glucosidase with IC50 values of 10.5–29.5 μg/mL (versus 54.1 ± 0.7 μg/mL for acarbose) and 8.8–49.5 μg/mL (versus 161.4 ± 1.8 μg/mL for acarbose), respectively. In silico molecular docking findings and pharmacokinetic predictions showed that myricetin is likely a novel plant-derived α-glucosidase inhibitor.
Conclusion
Collectively, our findings suggest pharmacological targeting of digestive enzymes by X. stuhlmannii (Taub.) crude extracts may reduce blood sugar in humans with T2DM via inhibition of α-glucosidases. |
| format | research article |
| id | ir-11408-5647 |
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| language | English |
| publishDate | 2023 |
| publisher | Elsevier |
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| spelling | ir-11408-56472023-05-20T12:06:26Z Inhibitory and in silico molecular docking of Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa phytochemical compounds on human α-glucosidases Brilliant Nyathi Jonathan Tatenda Bvunzawabaya Chido Venissa P Mudawarima Emily Manzombe Kudakwashe Tsotsoro Major Allen Selemani Gadzikano Munyuki Freeborn Rwere Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe; Department of Chemical Sciences, Faculty of Science and Technology Midlands State University, Private Bag 9055 Senga Road, Gweru, 263, Zimbabwe Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe Department of Chemistry, School of Natural Sciences and Mathematics, Chinhoyi University of Technology, Chinhoyi, Zimbabwe; Department of Anesthesiology, Perioperative and Pain Medicine, Stanford University School of Medicine, 300 Pasteur Drive, Stanford, CA, 94305, USA Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa Phytochemical compounds In silico molecular docking Ethnopharmacological relevance Herbal traditional medicine is used by millions of people in Africa for treatment of ailments such as diabetes mellitus, stomach disorders and respiratory diseases. Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa (X. stuhlmannii (Taub.)) is a medicinal plant used traditionally in Zimbabwe to treat type 2 diabetes mellitus (T2DM) and its complications. However, there is no scientific evidence to support its inhibitory effect against digestive enzymes (α-glucosidases) that are linked to high blood sugar in humans. Aim of the study This work aims to investigate whether bioactive phytochemicals of crude X. stuhlmannii (Taub.) can scavenge free radicals and inhibit α-glucosidases in order to reduce blood sugar in humans. Materials and methods Here we examined the free radical scavenging potential of crude aqueous, ethyl acetate and methanolic extracts of X. stuhlmannii (Taub.) using the diphenyl-2-picrylhydrazyl assay in vitro. Furthermore, we carried out in vitro inhibition of α-glucosidases (α-amylase and α-glucosidase) by the crude extracts using chromogenic 3,5-dinitrosalicylic acid and p-nitrophenyl-α-D-glucopyranoside substrates. We also used molecular docking approaches (Autodock Vina) to screen for bioactive phytochemical compounds targeting the digestive enzymes. Results Our results showed that phytochemicals in X. stuhlmannii (Taub.) aqueous, ethyl acetate and methanolic extracts scavenged free radicals with IC50 values ranging from 0.002 to 0.013 μg/mL. Furthermore, crude aqueous, ethyl acetate and methanolic extracts significantly inhibited α-amylase and α-glucosidase with IC50 values of 10.5–29.5 μg/mL (versus 54.1 ± 0.7 μg/mL for acarbose) and 8.8–49.5 μg/mL (versus 161.4 ± 1.8 μg/mL for acarbose), respectively. In silico molecular docking findings and pharmacokinetic predictions showed that myricetin is likely a novel plant-derived α-glucosidase inhibitor. Conclusion Collectively, our findings suggest pharmacological targeting of digestive enzymes by X. stuhlmannii (Taub.) crude extracts may reduce blood sugar in humans with T2DM via inhibition of α-glucosidases. 312 2023-05-20T12:06:25Z 2023-05-20T12:06:25Z 2023-04-24 research article https://cris.library.msu.ac.zw//handle/11408/5647 https://doi.org/10.1016/j.jep.2023.116501 en #PLACEHOLDER_PARENT_METADATA_VALUE# Chinhoyi University of Technology and an Education Department Fund to FR by Stanford University, School of Medicine Journal of Ethnopharmacology 0378-8741 #PLACEHOLDER_PARENT_METADATA_VALUE# open Elsevier |
| spellingShingle | Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa Phytochemical compounds In silico molecular docking Brilliant Nyathi Jonathan Tatenda Bvunzawabaya Chido Venissa P Mudawarima Emily Manzombe Kudakwashe Tsotsoro Major Allen Selemani Gadzikano Munyuki Freeborn Rwere Inhibitory and in silico molecular docking of Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa phytochemical compounds on human α-glucosidases |
| title | Inhibitory and in silico molecular docking of Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa phytochemical compounds on human α-glucosidases |
| title_full | Inhibitory and in silico molecular docking of Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa phytochemical compounds on human α-glucosidases |
| title_fullStr | Inhibitory and in silico molecular docking of Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa phytochemical compounds on human α-glucosidases |
| title_full_unstemmed | Inhibitory and in silico molecular docking of Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa phytochemical compounds on human α-glucosidases |
| title_short | Inhibitory and in silico molecular docking of Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa phytochemical compounds on human α-glucosidases |
| title_sort | inhibitory and in silico molecular docking of xeroderris stuhlmannii (taub.) mendonca & e.p. sousa phytochemical compounds on human α-glucosidases |
| topic | Xeroderris stuhlmannii (Taub.) Mendonca & E.P. Sousa Phytochemical compounds In silico molecular docking |
| url | https://cris.library.msu.ac.zw//handle/11408/5647 https://doi.org/10.1016/j.jep.2023.116501 |
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