Antispasmodic Effect of Alstonia boonei De Wild. and Its Constituents: Ex Vivo and In Silico Approaches

Molecules · 8 authors, 9 centres

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TL;DR

Freeze-dried aqueous stem bark extract and fractions of Alstonia boonei were tested on isolated rat ileum for antispasmodic activity, and two compounds (boonein and β-amyrin) were isolated and evaluated ex vivo and via in silico molecular dynamics simulations. The dichloromethane fraction showed the strongest antispasmodic activity, and boonein exhibited dose-dependent relaxation of both spontaneous and high-potassium-induced contractions, while β-amyrin had stronger in silico protein interactions.

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This preclinical study evaluated the antispasmodic properties of Alstonia boonei stem bark aqueous extract, its solvent-partitioned fractions (dichloromethane, ethyl acetate, aqueous), and two isolated compounds (boonein and β-amyrin) using ex vivo assays on isolated rat ileum. Antispasmodic activity was assessed against spontaneous and high-potassium-induced (80 mM K+) contractions. The dichloromethane fraction demonstrated the strongest antispasmodic effect with IC50 values of 0.02 ± 0.05 mg/mL on high-potassium-induced contractions. Of the two isolated compounds, boonein showed significant antispasmodic activity on both contraction types, while β-amyrin exhibited only partial relaxation. In silico molecular dynamics simulations against human PPARgamma-LBD and carbonic anhydrase isozyme indicated that β-amyrin maintained stronger binding interactions than boonein during simulation.

STUDY TYPE

other

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preclinical research

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ORIGINAL PAPER

PMC10609272

Antispasmodic Effect of Alstonia boonei De Wild. and Its Constituents: Ex Vivo and In Silico Approaches

Molecules

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ABSTRACT

Background: Alstonia boonei , belonging to the family Apocynaceae, is one of the best-known medicinal plants in Africa and Asia. Stem back preparations are traditionally used as muscle relaxants. This study investigated the antispasmodic properties of Alstonia boonei Stem back and its constituents. Method: The freeze-dried aqueous Stem back extract of A. boonei , as well as dichloromethane (DCM), ethyl acetate, and aqueous fractions, were evaluated for their antispasmodic effect via the ex vivo method. Two compounds were isolated from the DCM fraction using chromatographic techniques, and their antispasmodic activity was evaluated. An in silico study was conducted by evaluating the interaction of isolated compounds with human PPARgamma-LBD and human carbonic anhydrase isozyme. Results: The Stem back crude extract, DCM, ethyl acetate, and aqueous fractions showed antispasmodic activity on high-potassium-induced (K + 80 mM) contractions on isolated rat ileum with IC 50 values of 0.03 ± 0.20, 0.02 ± 0.05, 0.03 ± 0.14, and 0.90 ± 0.06 mg/mL, respectively. The isolated compounds from the DCM fraction were β-amyrin and boonein, with only boonein exhibiting antispasmodic activity on both high-potassium-induced (IC 50 = 0.09 ± 0.01 µg/mL) and spontaneous (0.29 ± 0.05 µg/mL) contractions. However, β-amyrin had a stronger interaction with the two proteins during the simulation. Conclusion: The isolated compounds boonein and β-amyrin could serve as starting materials for the development of antispasmodic drugs.

CITATION EXPORT

Opeyemi Josephine Akinmurele, Mubo Adeola Sonibare, Anthony A. Elujoba et al.. Antispasmodic Effect of Alstonia boonei De Wild. and Its Constituents: Ex Vivo and In Silico Approaches. Molecules. (2023). https://doi.org/10.3390/molecules28207069

AUTHORS

8 · 9 CENTRES

Opeyemi Josephine Akinmurele, Mubo Adeola Sonibare, Anthony A. Elujoba, Akingbolabo Daniel Ogunlakin, Oloruntoba Emmanuel Yeye, Gideon Ampoma Gyebi, Oluwafemi Adeleke Ojo, Abdullah R. Alanzi

1Department of Pharmacognosy, Faculty of Pharmacy, Madonna University, Elele 512101, Nigeria; [email protected]
2Department of Pharmacognosy, Faculty of Pharmacy, University of Ibadan, Ibadan 200005, Nigeria
3Comsat International Institute of Technology (CIIT), Abbotabad 22020, Pakistan
4Department of Pharmacognosy, Faculty of Pharmacy, Obafemi Awolowo University, Ile-Ife 220101, Nigeria; [email protected]
5Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB-RL), Department of Biochemistry, Bowen University, Iwo 232101, Nigeria; [email protected]
6H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan; [email protected]
7Department of Chemistry, Faculty of Science, University of Ibadan, Ibadan 200005, Nigeria
8Natural products and Structural (Bio-Chem)-Informatics Research Laboratory (NpsBC-RI), Department of Biochemistry, Bingham University, Karu 961105, Nigeria; [email protected]
9Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh 12271, Saudi Arabia; [email protected]

EDITOR / REVIEWER

Noman Walayat, Asad Nawaz, Jianhua Liu