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

Akpovwehwee A Anigboro; Oghenetega J Avwioroko; Omoerere Oborirhovo; Onoriode Akeghware; Ernest U Durugbo; Augustine Apiamu; Victor I Olaoye; Uchechukwu S Ezealigo; Nyerhovwo J Tonukari

doi:10.1007/s12010-024-04865-y

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 Feb 28. doi: 10.1007/s12010-024-04865-y. Online ahead of print.

Authors

Affiliations

¹ Department of Biochemistry, Faculty of Science, Delta State University, P.M.B.001, Abraka, Nigeria. akposanigboro@yahoo.co.uk.
² Department of Biochemistry, Faculty of Basic Medical Sciences, Redeemer's University, Ede, Osun State, Nigeria. joavwioroko@gmail.com.
³ Center for Chemical and Biochemical Research (CCBR), Redeemer's University, Ede, Osun State, Nigeria. joavwioroko@gmail.com.
⁴ Department of Biochemistry, Faculty of Science, Delta State University, P.M.B.001, Abraka, Nigeria.
⁵ Department of Chemical Sciences, Faculty of Science, Edwin Clark University, Kiagbodo, Delta State, Nigeria.
⁶ Department of Biological Sciences, Faculty of Natural Sciences, Redeemer's University, Ede, Osun State, Nigeria.
⁷ Department of Chemical Sciences, Faculty of Natural Sciences, Redeemer's University, Ede, Osun State, Nigeria.
⁸ Department of Material Science Engineering, African University of Science and Technology, Abuja, Nigeria.

PMID: 38416335
DOI: 10.1007/s12010-024-04865-y

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, E_HOMO-E_LUMO 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.

Keywords: Rauvolfia vomitoria; Anti-glycation; Anti-inflammatory; Anti-obesity; Molecular docking.