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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 Com-bretum 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 panc...

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Main Authors: Forid, M. S., Rahman, M. A., Aluwi, M. F. F. M., Uddin, M. N., Roy, T. G., Mohanta, M. C., Huq, A. K. M. M., Zakaria, Z. A.
Format: Article
Language:English
Published: MDPI - Open Access Publishing 2021
Subjects:
RC Internal medicine
RM Therapeutics. Pharmacology
T Technology (General)
Online Access:http://umpir.ump.edu.my/id/eprint/32777/1/Pharmacoinformatics%20and%20uplc-qtof_esi-ms-based%20phytochemical%20screening%20of%20combretum%20indicum%20against%20oxidative.pdf
http://umpir.ump.edu.my/id/eprint/32777/
https://www.mdpi.com/journal/molecules
https://doi.org/10.3390/molecules26154634
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spelling my.ump.umpir.327772021-12-08T08:28:05Z http://umpir.ump.edu.my/id/eprint/32777/ Pharmacoinformatics and uplc-qtof/esi-ms-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in long–evans rats Forid, M. S. Rahman, M. A. Aluwi, M. F. F. M. Uddin, M. N. Roy, T. G. Mohanta, M. C. Huq, A. K. M. M. Zakaria, Z. A. RC Internal medicine RM Therapeutics. Pharmacology T Technology (General) This research investigated a UPLC-QTOF/ESI-MS-based phytochemical profiling of Com-bretum 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 ar-butin 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 - Open Access Publishing 2021-07-30 Article PeerReviewed pdf en cc_by_4 http://umpir.ump.edu.my/id/eprint/32777/1/Pharmacoinformatics%20and%20uplc-qtof_esi-ms-based%20phytochemical%20screening%20of%20combretum%20indicum%20against%20oxidative.pdf Forid, M. S. and Rahman, M. A. and Aluwi, M. F. F. M. and Uddin, M. N. and Roy, T. G. and Mohanta, M. C. and Huq, A. K. M. M. and Zakaria, Z. A. (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). pp. 1-30. ISSN 1420-3049 https://www.mdpi.com/journal/molecules https://doi.org/10.3390/molecules26154634
institution Universiti Malaysia Pahang
building UMP Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Pahang
content_source UMP Institutional Repository
url_provider http://umpir.ump.edu.my/
language English
topic RC Internal medicine
RM Therapeutics. Pharmacology
T Technology (General)
spellingShingle RC Internal medicine
RM Therapeutics. Pharmacology
T Technology (General)
Forid, M. S.
Rahman, M. A.
Aluwi, M. F. F. M.
Uddin, M. N.
Roy, T. G.
Mohanta, M. C.
Huq, A. K. M. M.
Zakaria, Z. A.
Pharmacoinformatics and uplc-qtof/esi-ms-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in long–evans rats
description This research investigated a UPLC-QTOF/ESI-MS-based phytochemical profiling of Com-bretum 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 ar-butin 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.
format Article
author Forid, M. S.
Rahman, M. A.
Aluwi, M. F. F. M.
Uddin, M. N.
Roy, T. G.
Mohanta, M. C.
Huq, A. K. M. M.
Zakaria, Z. A.
author_facet Forid, M. S.
Rahman, M. A.
Aluwi, M. F. F. M.
Uddin, M. N.
Roy, T. G.
Mohanta, M. C.
Huq, A. K. M. M.
Zakaria, Z. A.
author_sort Forid, M. S.
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_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_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_sort pharmacoinformatics and uplc-qtof/esi-ms-based phytochemical screening of combretum indicum against oxidative stress and alloxan-induced diabetes in long–evans rats
publisher MDPI - Open Access Publishing
publishDate 2021
url http://umpir.ump.edu.my/id/eprint/32777/1/Pharmacoinformatics%20and%20uplc-qtof_esi-ms-based%20phytochemical%20screening%20of%20combretum%20indicum%20against%20oxidative.pdf
http://umpir.ump.edu.my/id/eprint/32777/
https://www.mdpi.com/journal/molecules
https://doi.org/10.3390/molecules26154634
_version_ 1718926264708890624
score 13.211869

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