GC-MS chemical profiling, antioxidant, anti-diabetic, and anti-inflammatory activities of ethyl acetate fraction of Spilanthes filicaulis (Schumach. and Thonn.) C.D. Adams leaves: experimental and computational studies

Oluwafemi Adeleke Ojo; Akingbolabo Daniel Ogunlakin; Gideon Ampoma Gyebi; Damilare IyinKristi Ayokunle; Adeshina Isaiah Odugbemi; Dare Ezekiel Babatunde; Omolola Adenike Ajayi-Odoko; Matthew Iyobhebhe; Samson Chukwuemeka Ezea; Christopher Oloruntoba Akintayo; Ademola Ayeleso; Adebola Busola Ojo; Omolara Olajumoke Ojo

doi:10.3389/fphar.2023.1235810

GC-MS chemical profiling, antioxidant, anti-diabetic, and anti-inflammatory activities of ethyl acetate fraction of Spilanthes filicaulis (Schumach. and Thonn.) C.D. Adams leaves: experimental and computational studies

Front Pharmacol. 2023 Jul 20:14:1235810. doi: 10.3389/fphar.2023.1235810. eCollection 2023.

Authors

Affiliations

¹ Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB-RL), Department of Biochemistry, Bowen University, Iwo, Nigeria.
² Department of Biochemistry, Bingham University, Karu, Nigeria.
³ Department of Pure and Applied Biology, Bowen University, Iwo, Nigeria.
⁴ Department of Anatomy, Bowen University, Iwo, Nigeria.
⁵ Department of Microbiology, Bowen University, Iwo, Nigeria.
⁶ Department of Biochemistry, Landmark University, Omu-Aran, Nigeria.
⁷ Department of Pharmacognosy and Environmental Medicine, University of Nigeria, Nsukka, Nigeria.
⁸ Department of Physiology, Afe Babalola University, Ado-Ekiti, Nigeria.
⁹ Department of Life and Consumer Sciences, School of Agriculture and Life Sciences, University of South Africa, Roodepoort, South Africa.
¹⁰ Department of Biochemistry, Ekiti State University, Ado-Ekiti, Nigeria.

Abstract

Introduction: This study aimed to investigate the chemical profile of GC-MS, antioxidant, anti-diabetic, and anti-inflammatory activities of the ethyl acetate fraction of Spilanthes filicaulis leaves (EFSFL) via experimental and computational studies. Methods: After inducing oxidative damage with FeSO₄, we treated the tissues with different concentrations of EFSFL. An in-vitro analysis of EFSFL was carried out to determine its potential for antioxidant, anti-diabetic, and anti-inflammatory activities. We also measured the levels of CAT, SOD, GSH, and MDA. Results and discussion: EFSFL exhibited anti-inflammatory properties through membrane stabilizing properties (IC₅₀ = 572.79 μg/ml), proteinase inhibition (IC₅₀ = 319.90 μg/ml), and inhibition of protein denaturation (IC₅₀ = 409.88 μg/ml). Furthermore, EFSFL inhibited α-amylase (IC₅₀ = 169.77 μg/ml), α-glucosidase (IC₅₀ = 293.12 μg/ml) and DPP-IV (IC₅₀ = 380.94 μg/ml) activities, respectively. Our results indicated that induction of tissue damage reduced the levels of GSH, SOD, and CAT activities, and increased MDA levels. However, EFSFL treatment restores these levels to near normal. GC-MS profiling shows that EFSFL contains 13 compounds, with piperine being the most abundant. In silico interaction of the phytoconstituents using molecular and ensembled-based docking revealed strong binding tendencies of two hit compounds to DPP IV (alpha-caryophyllene and piperine with a binding affinity of -7.8 and -7.8 Kcal/mol), α-glucosidase (alpha-caryophyllene and piperine with a binding affinity of -9.6 and -8.9 Kcal/mol), and to α-amylase (piperine and Benzocycloheptano[2,3,4-I,j]isoquinoline, 4,5,6,6a-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-5-methyl with a binding affinity of -7.8 and -7.9 Kcal/mol), respectively. These compounds also presented druggable properties with favorable ADMET. Conclusively, the antioxidant, antidiabetic, and anti-inflammatory activities of EFSFL could be due to the presence of secondary metabolites.

Keywords: GC-MS profiling; Spilanthes filicaulis; anti-inflammatory; antidiabetic; antioxidant; molecular docking and dynamic simulations.

Grants and funding

This research was funded by Bowen University via Bowen University Research Grant (BURG) (Grant No: BURG/2023/006) for 2022-2023.