Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats
This research investigated a UPLC-QTOF/ESI-MS-based phytochemical profiling of Combretum indicum leaf extract (CILEx), and explored its in vitro antioxidant and in vivo antidiabetic effects in a Long-Evans rat model. After a one-week intervention, the animals' blood glucose, lipid profile, and...
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| Format: | Article |
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MDPI AG
2021
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| _version_ | 1796983009546600448 |
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| author | Forid, Md Shaekh Rahman, Md Atiar Mohd Aluwi, Mohd Fadhlizil Fasihi Uddin, Md Nazim Roy, Tapashi Ghosh Mohanta, Milon Chandra Huq, Akm Moyeenul Zakaria, Zainul Amiruddin |
| author_facet | Forid, Md Shaekh Rahman, Md Atiar Mohd Aluwi, Mohd Fadhlizil Fasihi Uddin, Md Nazim Roy, Tapashi Ghosh Mohanta, Milon Chandra Huq, Akm Moyeenul Zakaria, Zainul Amiruddin |
| author_sort | Forid, Md Shaekh |
| collection | UPM |
| description | This research investigated a UPLC-QTOF/ESI-MS-based phytochemical profiling of Combretum indicum leaf extract (CILEx), and explored its in vitro antioxidant and in vivo antidiabetic effects in a Long-Evans rat model. After a one-week intervention, the animals' blood glucose, lipid profile, and pancreatic architectures were evaluated. UPLC-QTOF/ESI-MS fragmentation of CILEx and its eight docking-guided compounds were further dissected to evaluate their roles using bioinformatics-based network pharmacological tools. Results showed a very promising antioxidative effect of CILEx. Both doses of CILEx were found to significantly (p < 0.05) reduce blood glucose, low-density lipoprotein (LDL), and total cholesterol (TC), and increase high-density lipoprotein (HDL). Pancreatic tissue architectures were much improved compared to the diabetic control group. A computational approach revealed that schizonepetoside E, melianol, leucodelphinidin, and arbutin were highly suitable for further therapeutic assessment. Arbutin, in a Gene Ontology and PPI network study, evolved as the most prospective constituent for 203 target proteins of 48 KEGG pathways regulating immune modulation and insulin secretion to control diabetes. The fragmentation mechanisms of the compounds are consistent with the obtained effects for CILEx. Results show that the natural compounds from CILEx could exert potential antidiabetic effects through in vivo and computational study. |
| first_indexed | 2024-03-06T11:00:15Z |
| format | Article |
| id | upm.eprints-94566 |
| institution | Universiti Putra Malaysia |
| last_indexed | 2024-03-06T11:00:15Z |
| publishDate | 2021 |
| publisher | MDPI AG |
| record_format | dspace |
| spelling | upm.eprints-945662022-12-05T03:29:43Z http://psasir.upm.edu.my/id/eprint/94566/ Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats Forid, Md Shaekh Rahman, Md Atiar Mohd Aluwi, Mohd Fadhlizil Fasihi Uddin, Md Nazim Roy, Tapashi Ghosh Mohanta, Milon Chandra Huq, Akm Moyeenul Zakaria, Zainul Amiruddin This research investigated a UPLC-QTOF/ESI-MS-based phytochemical profiling of Combretum indicum leaf extract (CILEx), and explored its in vitro antioxidant and in vivo antidiabetic effects in a Long-Evans rat model. After a one-week intervention, the animals' blood glucose, lipid profile, and pancreatic architectures were evaluated. UPLC-QTOF/ESI-MS fragmentation of CILEx and its eight docking-guided compounds were further dissected to evaluate their roles using bioinformatics-based network pharmacological tools. Results showed a very promising antioxidative effect of CILEx. Both doses of CILEx were found to significantly (p < 0.05) reduce blood glucose, low-density lipoprotein (LDL), and total cholesterol (TC), and increase high-density lipoprotein (HDL). Pancreatic tissue architectures were much improved compared to the diabetic control group. A computational approach revealed that schizonepetoside E, melianol, leucodelphinidin, and arbutin were highly suitable for further therapeutic assessment. Arbutin, in a Gene Ontology and PPI network study, evolved as the most prospective constituent for 203 target proteins of 48 KEGG pathways regulating immune modulation and insulin secretion to control diabetes. The fragmentation mechanisms of the compounds are consistent with the obtained effects for CILEx. Results show that the natural compounds from CILEx could exert potential antidiabetic effects through in vivo and computational study. MDPI AG 2021-07 Article PeerReviewed Forid, Md Shaekh and Rahman, Md Atiar and Mohd Aluwi, Mohd Fadhlizil Fasihi and Uddin, Md Nazim and Roy, Tapashi Ghosh and Mohanta, Milon Chandra and Huq, Akm Moyeenul and Zakaria, Zainul Amiruddin (2021) Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats. Molecules, 26 (15). art. no. 4634. pp. 1-30. ISSN 1420-3049 https://www.mdpi.com/1420-3049/26/15/4634 10.3390/molecules26154634 |
| spellingShingle | Forid, Md Shaekh Rahman, Md Atiar Mohd Aluwi, Mohd Fadhlizil Fasihi Uddin, Md Nazim Roy, Tapashi Ghosh Mohanta, Milon Chandra Huq, Akm Moyeenul Zakaria, Zainul Amiruddin Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats |
| title | Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats |
| title_full | Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats |
| title_fullStr | Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats |
| title_full_unstemmed | Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats |
| title_short | Pharmacoinformatics and UPLC-QTOF/ESI-MS-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in Long-Evans Rats |
| title_sort | pharmacoinformatics and uplc qtof esi ms based phytochemical screening of combretum indicum against oxidative stress and alloxan induced diabetes in long evans rats |
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