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Characterization, Anti-glycation, Anti-inflammation, and Lipase Inhibitory Properties of Rauvolfia vomitoria Leaf Extract: In Vitro and In Silico Evaluations for Obesity Treatment

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Abstract

Pancreatic lipase (PLP) is an enzyme responsible for the catalytic hydrolysis of fats and its inhibition is relevant for obesity management. Side effects linked with orthodox inhibitors have, however, paved the way for an increased search for safe natural sources. The present study investigated the anti-glycation, anti-inflammatory, and anti-lipase properties of Rauvolfia vomitoria aqueous (ARV), ethanolic (ERV), and methanolic (MRV) leaf extracts coupled with the molecular interactions of selected bioactive compounds with PLP using in vitro and in silico techniques. Phytochemical constituents were characterized using spectroscopic techniques. Drug-likeness and chemical reactivity profile of selected bioactive compounds were analyzed using SwissADME and quantum chemical calculations. FT-IR and GC-MS affirmed the presence of phenolic compounds including 3-phenyl-2-ethoxypropylphthalimide and 5-methyl-2-phenyl-1H-indole. All extracts showed moderate anti-glycation, anti-inflammatory, and lipase inhibitory capacities relative to standard controls. However, MRV exhibited the highest lipase inhibition (IC50, 0.17 ± 0.01 mg/mL), using a mixed-inhibition pattern. MRV interaction with PLP resulted in decreased secondary structure components of PLP (α-sheet, β-turn). MRV compounds (MCP20, MCP28, etc.) exhibited low chemical hardness, EHOMO-ELUMO energy gap, and high chemical reactivity. Foremost MRV compounds obeyed Lipinski’s rule of five for drug-likeness and interacted with PHE-78 amongst others at PLP catalytic domain with high binding affinity (≥ − 9.3 kcal/mol). Pi-alkyl hydrophobic interaction and hydrogen bonding were predominantly involved. Our findings provide scientific insights into the ethnotherapeutic uses of R. vomitoria extracts for the management of obesity and related complications, plus useful information for optimizable drug-like candidates against obesity.

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Acknowledgements

We sincerely appreciate the unequalled efforts of all laboratory assistants and technical personnel who provided assistance during this research work. The fluorescence spectrophotometer used in this study was part of the instrument grant given to Prof. E.I. Unuabonah by Alexander von Humboldt. The authors are also highly grateful to them.

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We do hereby affirm that no funding agency in the public, commercial, or not-for-profit sector provided financial support for this study or its publication.

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Authors and Affiliations

  1. Department of Biochemistry, Faculty of Science, Delta State University, P.M.B.001, Abraka, Nigeria

    Akpovwehwee A. Anigboro, Omoerere Oborirhovo, Onoriode Akeghware, Augustine Apiamu & Nyerhovwo J. Tonukari

  2. Department of Biochemistry, Faculty of Basic Medical Sciences, Redeemer’s University, Ede, Osun State, Nigeria

    Oghenetega J. Avwioroko

  3. Department of Chemical Sciences, Faculty of Science, Edwin Clark University, Kiagbodo, Delta State, Nigeria

    Onoriode Akeghware

  4. Department of Biological Sciences, Faculty of Natural Sciences, Redeemer’s University, Ede, Osun State, Nigeria

    Ernest U. Durugbo

  5. Department of Chemical Sciences, Faculty of Natural Sciences, Redeemer’s University, Ede, Osun State, Nigeria

    Victor I. Olaoye

  6. Department of Material Science Engineering, African University of Science and Technology, Abuja, Nigeria

    Uchechukwu S. Ezealigo

  7. Center for Chemical and Biochemical Research (CCBR), Redeemer’s University, Ede, Osun State, Nigeria

    Oghenetega J. Avwioroko

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Contributions

The successful completion of the research work/manuscript publication was made possible by the efforts of all the authors: Akpovwehwee A. Anigboro, Oghenetega J. Avwioroko, Onoriode Akeghware, Ernest U. Durugbo, and Nyerhovwo J. Tonukari: conceived and designed the experiments; Onoriode Akeghware, Omoerere Oborirhovo, Augustine Apiamu, Victor I. Olaoye, and Oghenetega J. Avwioroko: conducted the experiments; Onoriode Akeghware, Oghenetega J. Avwioroko, and Omoerere Oborirhovo: analyzed the data; Akpovwehwee A. Anigboro, Oghenetega J. Avwioroko, Uchechukwu S. Ezealigo, Ernest U. Durugbo, and Nyerhovwo J. Tonukari: validated the results; Onoriode Akeghware, Oghenetega J. Avwioroko, Uchechukwu S. Ezealigo, Augustine Apiamu, Victor I. Olaoye, and Ernest U. Durugbo: developed the manuscript first draft; Akpovwehwee A. Anigboro, Oghenetega J. Avwioroko,, and Nyerhovwo J. Tonukari: supervised the experiments and manuscript drafting. All authors read and consented to the publication of the manuscript.

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Correspondence to Akpovwehwee A. Anigboro or Oghenetega J. Avwioroko.

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Anigboro, A.A., Avwioroko, O.J., Oborirhovo, O. et al. Characterization, Anti-glycation, Anti-inflammation, and Lipase Inhibitory Properties of Rauvolfia vomitoria Leaf Extract: In Vitro and In Silico Evaluations for Obesity Treatment. Appl Biochem Biotechnol (2024). https://doi.org/10.1007/s12010-024-04865-y

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