Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase
The present work was aimed at investigating hydroethanolic leaf extracts of Cassia fistula for their antioxidant and pancreatic lipase (PL) enzyme inhibitory properties. The most active extract was selected to profile the phytoconstituents by UHPLC-QTOF-MS/MS technique. Among the tested extracts, th...
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| Format: | Article |
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Multidisciplinary Digital Publishing Institute
2021
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| _version_ | 1796983217518018560 |
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| author | Ul Aabideen, Zain Mumtaz, Muhammad Waseem Akhtar, Muhammad Tayyab Raza, Muhammad Asam Mukhtar, Hamid Irfan, Ahmad Raza, Syed Ali Touqeer, Tooba Nadeem, Muhammad Saari, Nazamid |
| author_facet | Ul Aabideen, Zain Mumtaz, Muhammad Waseem Akhtar, Muhammad Tayyab Raza, Muhammad Asam Mukhtar, Hamid Irfan, Ahmad Raza, Syed Ali Touqeer, Tooba Nadeem, Muhammad Saari, Nazamid |
| author_sort | Ul Aabideen, Zain |
| collection | UPM |
| description | The present work was aimed at investigating hydroethanolic leaf extracts of Cassia fistula for their antioxidant and pancreatic lipase (PL) enzyme inhibitory properties. The most active extract was selected to profile the phytoconstituents by UHPLC-QTOF-MS/MS technique. Among the tested extracts, the 80% hydroethanolic extract exhibited the maximum levels of total phenolic and flavonoid contents (TPC and TFC) with a contribution of 201.3 ± 2.6 mg of gallic acid equivalent per gram of extract (GAE/g extract), and 116.3 ± 2.4 mg of rutin equivalent per gram of extract (RE/g extract), respectively. The same extract also showed promising 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and PL inhibitory activity with an IC50 (half maximal inhibitory concentration) of 30.5 ± 2.8 µg/mL and 17.31 ± 1.18 μg/mL, respectively. The phytochemical profiling of 80% hydroethanolic extract confirmed the presence of 23 metabolites of immense medicinal significance. Docking studies were conducted to investigate the potential interactions of compounds identified in the study. The docking study-based binding energy data and the interaction scheme both revealed the possible role of the identified compounds towards PL inhibitor. Moreover, energies of frontier molecular orbitals (FMOs), ionization potentials (IP), electron affinities (EA) and molecular electrostatic potentials (MEP) were also explored. The findings of the current work suggest that C. fistula is a promising natural source of antioxidant and antiobesity agents, which may be exploited to add pharmacological functionalities to food. |
| first_indexed | 2024-03-06T11:03:21Z |
| format | Article |
| id | upm.eprints-96301 |
| institution | Universiti Putra Malaysia |
| last_indexed | 2024-03-06T11:03:21Z |
| publishDate | 2021 |
| publisher | Multidisciplinary Digital Publishing Institute |
| record_format | dspace |
| spelling | upm.eprints-963012023-01-31T01:57:37Z http://psasir.upm.edu.my/id/eprint/96301/ Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase Ul Aabideen, Zain Mumtaz, Muhammad Waseem Akhtar, Muhammad Tayyab Raza, Muhammad Asam Mukhtar, Hamid Irfan, Ahmad Raza, Syed Ali Touqeer, Tooba Nadeem, Muhammad Saari, Nazamid The present work was aimed at investigating hydroethanolic leaf extracts of Cassia fistula for their antioxidant and pancreatic lipase (PL) enzyme inhibitory properties. The most active extract was selected to profile the phytoconstituents by UHPLC-QTOF-MS/MS technique. Among the tested extracts, the 80% hydroethanolic extract exhibited the maximum levels of total phenolic and flavonoid contents (TPC and TFC) with a contribution of 201.3 ± 2.6 mg of gallic acid equivalent per gram of extract (GAE/g extract), and 116.3 ± 2.4 mg of rutin equivalent per gram of extract (RE/g extract), respectively. The same extract also showed promising 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and PL inhibitory activity with an IC50 (half maximal inhibitory concentration) of 30.5 ± 2.8 µg/mL and 17.31 ± 1.18 μg/mL, respectively. The phytochemical profiling of 80% hydroethanolic extract confirmed the presence of 23 metabolites of immense medicinal significance. Docking studies were conducted to investigate the potential interactions of compounds identified in the study. The docking study-based binding energy data and the interaction scheme both revealed the possible role of the identified compounds towards PL inhibitor. Moreover, energies of frontier molecular orbitals (FMOs), ionization potentials (IP), electron affinities (EA) and molecular electrostatic potentials (MEP) were also explored. The findings of the current work suggest that C. fistula is a promising natural source of antioxidant and antiobesity agents, which may be exploited to add pharmacological functionalities to food. Multidisciplinary Digital Publishing Institute 2021 Article PeerReviewed Ul Aabideen, Zain and Mumtaz, Muhammad Waseem and Akhtar, Muhammad Tayyab and Raza, Muhammad Asam and Mukhtar, Hamid and Irfan, Ahmad and Raza, Syed Ali and Touqeer, Tooba and Nadeem, Muhammad and Saari, Nazamid (2021) Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase. Plants-Basel, 10 (7). art. no. 1334. pp. 1-24. ISSN 2223-7747 https://www.mdpi.com/2223-7747/10/7/1334 10.3390/plants10071334 |
| spellingShingle | Ul Aabideen, Zain Mumtaz, Muhammad Waseem Akhtar, Muhammad Tayyab Raza, Muhammad Asam Mukhtar, Hamid Irfan, Ahmad Raza, Syed Ali Touqeer, Tooba Nadeem, Muhammad Saari, Nazamid Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase |
| title | Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase |
| title_full | Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase |
| title_fullStr | Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase |
| title_full_unstemmed | Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase |
| title_short | Cassia fistula leaves; UHPLC-QTOF-MS/MS based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase |
| title_sort | cassia fistula leaves uhplc qtof ms ms based metabolite profiling and molecular docking insights to explore bioactives role towards inhibition of pancreatic lipase |
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