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

被引：5

作者：

Ojo, Oluwafemi Adeleke ^{[1
]}

Ogunlakin, Akingbolabo Daniel ^{[1
]}

Gyebi, Gideon Ampoma ^{[2
]}

Ayokunle, Damilare IyinKristi ^{[3
]}

Odugbemi, Adeshina Isaiah ^{[1
]}

Babatunde, Dare Ezekiel ^{[4
]}

Ajayi-Odoko, Omolola Adenike ^{[5
]}

Iyobhebhe, Matthew ^{[6
]}

Ezea, Samson Chukwuemeka ^{[7
]}

Akintayo, Christopher Oloruntoba ^{[8
]}

Ayeleso, Ademola ^{[1
,9
]}

Ojo, Adebola Busola ^{[10
]}

Ojo, Omolara Olajumoke ^{[10
]}

机构：

[1] Bowen Univ, Dept Biochem, Phytomed Mol Toxicol & Computat Biochem Res Lab PM, Iwo, Nigeria

[2] Bingham Univ, Dept Biochem, Karu, Nigeria

[3] Bowen Univ, Dept Pure & Appl Biol, Iwo, Nigeria

[4] Bowen Univ, Dept Anat, Iwo, Nigeria

[5] Bowen Univ, Dept Microbiol, Iwo, Nigeria

[6] Landmark Univ, Dept Biochem, Omu Aran, Nigeria

[7] Univ Nigeria, Dept Pharmacognosy & Environm Med, Nsukka, Nigeria

[8] Afe Babalola Univ, Dept Physiol, Ado Ekiti, Nigeria

[9] Univ South Africa, Sch Agr & Life Sci, Dept Life & Consumer Sci, Roodepoort, South Africa

[10] Ekiti State Univ, Dept Biochem, Ado Ekiti, Nigeria

来源：

FRONTIERS IN PHARMACOLOGY | 2023年 / 14卷

关键词：

Spilanthes filicaulis; antioxidant; antidiabetic; anti-inflammatory; GC-MS profiling; molecular docking and dynamic simulations; ALPHA-AMYLASE; INHIBITION; DOCKING; CHANNEL; TARGET;

D O I：

10.3389/fphar.2023.1235810

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

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 mu g/ml), proteinase inhibition (IC50 = 319.90 mu g/ml), and inhibition of protein denaturation (IC50 = 409.88 mu g/ml). Furthermore, EFSFL inhibited alpha-amylase (IC50 = 169.77 mu g/ml), alpha-glucosidase (IC50 = 293.12 mu g/ml) and DPP-IV (IC50 = 380.94 mu g/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), alpha-glucosidase (alpha-caryophyllene and piperine with a binding affinity of -9.6 and -8.9 Kcal/mol), and to alpha-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.

引用

页数：20