Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytes
Abstract Background Obesity is a global health issue arising from the unhealthy accumulation of fat. Medicinal plants such as Alstonia boonei stem bark has been reported to possess body weight reducing effect in obese rats. Thus, this study sought to investigate the in vitro and in silico effects of...
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| Format: | Article |
| Language: | English |
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BMC
2023-10-01
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| Series: | BMC Complementary Medicine and Therapies |
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| Online Access: | https://doi.org/10.1186/s12906-023-04202-6 |
| _version_ | 1797578175698436096 |
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| author | Gabriel O. Anyanwu Uju D. Ejike Gideon A. Gyebi Khalid Rauf Nisar-Ur-Rehman Jamshed Iqbal Sumera Zaib Usunomena Usunobun Eusebius C. Onyeneke Badriyah S. Alotaibi Gaber El-Saber Batiha |
| author_facet | Gabriel O. Anyanwu Uju D. Ejike Gideon A. Gyebi Khalid Rauf Nisar-Ur-Rehman Jamshed Iqbal Sumera Zaib Usunomena Usunobun Eusebius C. Onyeneke Badriyah S. Alotaibi Gaber El-Saber Batiha |
| author_sort | Gabriel O. Anyanwu |
| collection | DOAJ |
| description | Abstract Background Obesity is a global health issue arising from the unhealthy accumulation of fat. Medicinal plants such as Alstonia boonei stem bark has been reported to possess body weight reducing effect in obese rats. Thus, this study sought to investigate the in vitro and in silico effects of fractions from Alstonia boonei stem bark on selected obesity-related digestive enzymes and adipogenesis in 3T3-L1 preadipocytes. Method Two fractions were prepared from A. boonei: crude alkaloid fraction (CAF) and crude saponin fraction (CSF), and their phytochemical compounds were profiled using Liquid chromatography with tandem mass spectrometry (LCMS/MS). The fractions were assayed for inhibitory activity against lipase, α-amylase and α-glucosidase, likewise their antiadipogenic effect in 3T3-L1 adipocytes. The binding properties with the 3 enzymes were also assessed using in silico tools. Results Eleven alkaloids and six saponin phytochemical compounds were identified in the CAF and CSF using LCMS/MS. The CAF and CSF revealed good inhibitory activity against pancreatic lipase enzyme, but weak and good activity against amylase respectively while only CSF had inhibitory activity against α-glucosidase. Both fractions showed antiadipogenic effect in the clearance of adipocytes and reduction of lipid content in 3T3-L1 adipocytes. The LCMS/MS identified compounds (41) from both fractions demonstrated good binding properties with the 3 enzymes, with at least the top ten compounds having higher binding energies than the reference inhibitors (acarbose and orlistat). The best two docked compounds to the three enzymes were firmly anchored in the substrate binding pockets of the enzymes. In a similar binding pattern as the reference acarbose, Estradiol-17-phenylpropionate (-11.0 kcal/mol) and 3α-O-trans-Feruloyl-2 α -hydroxy-12-ursen-28-oic acid (-10.0 kcal/mol) interacted with Asp197 a catalytic nucleophile of pancreatic amylase. Estradiol-17-phenylpropionate (-10.8 kcal/mol) and 10-Hydroxyyohimbine (-10.4 kcal/mol) interacted with the catalytic triad (Ser152-Asp176-His263) of pancreatic lipase while Estradiol-17-phenylpropionate (-10.1 kcal/mol) and 10-Hydroxyyohimbine (-9.9 kcal/mol) interacted with Asp616 and Asp518 the acid/base and nucleophilic residues of modelled α-glucosidase. Conclusion The antiobesity effect of A. boonei was displayed by both the alkaloid and saponin fractions of the plant via inhibition of pancreatic lipase and adipogenesis. |
| first_indexed | 2024-03-10T22:19:23Z |
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| institution | Directory Open Access Journal |
| issn | 2662-7671 |
| language | English |
| last_indexed | 2024-03-10T22:19:23Z |
| publishDate | 2023-10-01 |
| publisher | BMC |
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| series | BMC Complementary Medicine and Therapies |
| spelling | doaj.art-78d83bf7343849a082147de190a394002023-11-19T12:20:54ZengBMCBMC Complementary Medicine and Therapies2662-76712023-10-0123111610.1186/s12906-023-04202-6Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytesGabriel O. Anyanwu0Uju D. Ejike1Gideon A. Gyebi2Khalid Rauf3Nisar-Ur-Rehman4Jamshed Iqbal5Sumera Zaib6Usunomena Usunobun7Eusebius C. Onyeneke8Badriyah S. Alotaibi9Gaber El-Saber Batiha10Department of Biochemistry, Bingham UniversityDepartment of Biochemistry, Bingham UniversityDepartment of Biochemistry, Bingham UniversityDepartment of Pharmacy, COMSATS University IslamabadDepartment of Pharmacy, COMSATS University IslamabadCentre for Advanced Drug Research, COMSATS University IslamabadDepartment of Basic and Applied Chemistry, Faculty of Science and Technology, University of Central PunjabDepartment of Biochemistry, Faculty of Basic Medical Sciences, Edo University UzairueDepartment of Biochemistry, University of BeninDepartment of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah Bint Abdulrahman UniversityDepartment of Pharmacology and Therapeutics, Faculty of Veterinary Medicine, Damanhour UniversityAbstract Background Obesity is a global health issue arising from the unhealthy accumulation of fat. Medicinal plants such as Alstonia boonei stem bark has been reported to possess body weight reducing effect in obese rats. Thus, this study sought to investigate the in vitro and in silico effects of fractions from Alstonia boonei stem bark on selected obesity-related digestive enzymes and adipogenesis in 3T3-L1 preadipocytes. Method Two fractions were prepared from A. boonei: crude alkaloid fraction (CAF) and crude saponin fraction (CSF), and their phytochemical compounds were profiled using Liquid chromatography with tandem mass spectrometry (LCMS/MS). The fractions were assayed for inhibitory activity against lipase, α-amylase and α-glucosidase, likewise their antiadipogenic effect in 3T3-L1 adipocytes. The binding properties with the 3 enzymes were also assessed using in silico tools. Results Eleven alkaloids and six saponin phytochemical compounds were identified in the CAF and CSF using LCMS/MS. The CAF and CSF revealed good inhibitory activity against pancreatic lipase enzyme, but weak and good activity against amylase respectively while only CSF had inhibitory activity against α-glucosidase. Both fractions showed antiadipogenic effect in the clearance of adipocytes and reduction of lipid content in 3T3-L1 adipocytes. The LCMS/MS identified compounds (41) from both fractions demonstrated good binding properties with the 3 enzymes, with at least the top ten compounds having higher binding energies than the reference inhibitors (acarbose and orlistat). The best two docked compounds to the three enzymes were firmly anchored in the substrate binding pockets of the enzymes. In a similar binding pattern as the reference acarbose, Estradiol-17-phenylpropionate (-11.0 kcal/mol) and 3α-O-trans-Feruloyl-2 α -hydroxy-12-ursen-28-oic acid (-10.0 kcal/mol) interacted with Asp197 a catalytic nucleophile of pancreatic amylase. Estradiol-17-phenylpropionate (-10.8 kcal/mol) and 10-Hydroxyyohimbine (-10.4 kcal/mol) interacted with the catalytic triad (Ser152-Asp176-His263) of pancreatic lipase while Estradiol-17-phenylpropionate (-10.1 kcal/mol) and 10-Hydroxyyohimbine (-9.9 kcal/mol) interacted with Asp616 and Asp518 the acid/base and nucleophilic residues of modelled α-glucosidase. Conclusion The antiobesity effect of A. boonei was displayed by both the alkaloid and saponin fractions of the plant via inhibition of pancreatic lipase and adipogenesis.https://doi.org/10.1186/s12906-023-04202-6ObesityAlstonia booneiAlkaloidSaponinLipaseAmylase |
| spellingShingle | Gabriel O. Anyanwu Uju D. Ejike Gideon A. Gyebi Khalid Rauf Nisar-Ur-Rehman Jamshed Iqbal Sumera Zaib Usunomena Usunobun Eusebius C. Onyeneke Badriyah S. Alotaibi Gaber El-Saber Batiha Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytes BMC Complementary Medicine and Therapies Obesity Alstonia boonei Alkaloid Saponin Lipase Amylase |
| title | Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytes |
| title_full | Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytes |
| title_fullStr | Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytes |
| title_full_unstemmed | Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytes |
| title_short | Phytochemical analysis, in vitro and in silico effects from Alstonia boonei De Wild stem bark on selected digestive enzymes and adipogenesis in 3T3-L1 preadipocytes |
| title_sort | phytochemical analysis in vitro and in silico effects from alstonia boonei de wild stem bark on selected digestive enzymes and adipogenesis in 3t3 l1 preadipocytes |
| topic | Obesity Alstonia boonei Alkaloid Saponin Lipase Amylase |
| url | https://doi.org/10.1186/s12906-023-04202-6 |
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