Phytochemical analysis, molecular docking and antiamnesic effects of methanolic extract of Silybum marianum (L.) Gaertn seeds in scopolamine induced memory impairment in mice

The aim of this study is to explore anti-alzheimer’s effect of phytocompounds identified from methanolic extract leaves of Jatropha gossypiifolia using GC-MS and Molecular docking studies. Acetylcholinesterase inhibitors improved cholinergic deficit in the brain which are beneficial in the treatment of Alzheimer’s disease. In this research work we studied the AchE antagonistic effect of phytocompounds identified from Jatropha gossypiifolia using an in silico approach. This work reported the phytochemical analysis of the methanolic extract of the leaves of Jatropha gossypiifolia. Eleven compounds were revealed through GC-MS analysis and screened using GC-MS QP2010PLUS, Shimadzu, Japan. Interpretation on mass spectrum of GC-MS was done using the database of National Institute Standard and Technology (NIST). 1,1,5-Trimethyl-1, 2-dihydro naphthalene, Methyl 10,12-pentacosadiynoate, Dodecanoic acid, methyl ester, Methyl tetradecanoate, 3,7,11,15-Tetramethyl-2-hexadecen-ol, Cyclopropanepentanoic acid 2-undecyl, methyl ester-trans, N-hexadecanoic acid, 9,12,15- Octadecatrienoic acid, Heptadecanoic acid, 16-methyl methyl ester, 7,8 Epoxylanostan 11-ol, 3-acetoxy, Cis,Cis, Cis – 7,10,13 – Hexadecatrienal compounds identified from methanolic leaf extract of Jatropha gossypiifolia using GC-MS analysis. Molecular docking of Jatropha gossypiifolia on human AchE protein was determined by using AutoDock Vina software and compared with Donepezil a known reversible acetylcholinesterase inhibitor. The interactions of Human Acetylcholinesterase-ligand conformations, including hydrogen bonds and various other bonds were analyzed using BIOVIA Discovery Studio 2016. Cis, Cis, Cis – 7,10,13-Hexadecatrienal existing phytochemicals from the leaves of Jatropha gossypiifolia had the highest fitness score of -7.6 kcal/mol comparable with donepezil having -9.2 kcal/mol and hence could be a potent antialzheimer’s drugs.

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Antidiarrheal activity of Bridelia ferruginea bark methanolic extract involves modulation ATPases in mice and inhibition of muscarinic acetylcholine receptor (M3) and prostaglandin E2 receptor 3 (EP3) in silico

Journal of Complementary and Integrative Medicine ◽

10.1515/jcim-2021-0240 ◽

2021 ◽

Vol 0 (0) ◽

Author(s):

Blessing Olugbamila Omolaso ◽

Julius Kolawole Adesanwo ◽

Ahmed Adebayo Ishola ◽

Adeoti Gbemisola Adegoke ◽

Francis O. Akingbule ◽

...

Keyword(s):

Molecular Docking ◽

Prostaglandin E2 ◽

Acetylcholine Receptor ◽

Methanolic Extract ◽

Muscarinic Acetylcholine Receptor ◽

Gastrointestinal Transit ◽

Muscarinic Acetylcholine ◽

Bridelia Ferruginea ◽

Antidiarrheal Activity ◽

Prostaglandin E2 Receptor

Abstract Objectives Diarrhea, an abnormal state in which the individual has about three or more daily bowel movements, is now considered one of the most challenging global public health problems. Using plant products, such as Bridelia ferruginea is an alternative treatment option. The objective of this study was to investigate the antidiarrheal activity of B. ferruginea bark methanolic extract (BfME) and the mechanisms involved. Methods BfME antidiarrheal activity was evaluated in mice model of castor oil-induced diarrhea and enteropooling. To evaluate motility, gastrointestinal transit time was carried out using phenol red meal, while intestinal activities of selected ATPases were also evaluated. Furthermore, the active components in BfME were detected by GC-MS analysis, while molecular docking of the most abundant compounds with muscarinic acetylcholine receptor (M3) and prostaglandin E2 receptor 3 (EP3) were conducted. Results BfME at 400 and 800 mg/kg showed antidiarrheal activity by delaying onset of diarrhea, reduced gastrointestinal transit and increased intestinal activities of Na+ K+-ATPase, Ca2+ Mg2+-ATPase and Mg2+-ATPase. Molecular docking revealed that γ-sitosterol, α-amyrin, and stigmasterol have outstanding binding affinity for M3 and EP3. Conclusions In view of these results, the observed antidiarrheal activity possibly occurs via the activation of ATPases activities and inhibition of M3 and EP3.

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FINGER PRINTING ANALYSIS OF THE PHENOLS FROM HOLOPTELEA INTEGRIFOLIA (ROXB.) PLANT LEAVES USING HPTLC

INDIAN DRUGS ◽

10.53879/id.54.09.10727 ◽

2017 ◽

Vol 54 (09) ◽

pp. 67-71

Author(s):

R. C. Sutar ◽

◽

D. S Musmade

Keyword(s):

High Performance ◽

Methanolic Extract ◽

Phytochemical Analysis ◽

Phytochemical Screening ◽

Plant Leaves ◽

Methanol Extracts ◽

Finger Printing ◽

Rf Values ◽

Layer Chromatography ◽

Tungsten Lamp

The present study was conducted to identify the phenols from methanol extracts (MHI) of medicinally and economically useful leaves of Holoptelea integrifolia (Roxb.) plant using High Performance Thin Layer Chromatography (HPLC) technique. Preliminary phytochemical screening was done and HPTLC studies were carried out on CAMAG HPTLC system equipped with Linomat V applicator (Switzerland). Densitometric scanning was performed with Camag TLC scanner IV in the reflectance absorbance mode at 540 nm and operated by Win CATS software (1.4.6 Camag) with the help of tungsten lamp. Preliminary phytochemical screening of methanolic extract of Holoptelea integrifolia showed the presence of steroids, alkaloids, flavonoids, proteins, phenols and carbohydrates. HPT LC finger printing of phenols of methanolic extract of leaf revealed seven polyvalent phytoconstituents (7 peaks) and corresponding ascending order of Rf values in the range of 0.15 to 0.75. From the results of preliminary phytochemical analysis and above Rf values, we have concluded the presence of phenols in methanol extracts.

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SCREENING FOR PHYTOCHEMICALS AND FTIR ANALYSIS OF MYRISTICA DACTYLOIDS FRUIT EXTRACTS

International Journal of Pharmacy and Pharmaceutical Sciences ◽

10.22159/ijpps.2017v9i1.11053 ◽

2016 ◽

Vol 9 (1) ◽

pp. 315 ◽

Cited By ~ 1

Author(s):

P. Rajiv ◽

A. Deepa ◽

P. Vanathi ◽

D. Vidhya

Keyword(s):

Fourier Transform ◽

Methanolic Extract ◽

Phytochemical Analysis ◽

Ftir Analysis ◽

Spectroscopy Analysis ◽

Standard Methods ◽

Fruit Extracts ◽

Ft Ir ◽

Amine Groups ◽

Ir Analysis

Objective: The present investigation focus on screening of phytochemicals and FT-IR analysis of Myristica dactyloids fruit extracts. The fruit extracts were prepared using five different solvents.Methods: The phytochemical analysis and FT-IR (Fourier transform infrared spectroscopy) analysis were performed using standard methods.Results: The results reveals that the alkaloids, steroids, flavonoids, phenolic compounds, proteins, carbohydrates, cardio glycosides and saponins were present in methanolic extract when compared to other solvent extracts. FT-IR analysis shows the presence of different functional groups such as carboxylic acids, aromatics, alkanes, alcohols, phenols, aliphatic amines, alkenes and amine groups in the fruit extracts.Conclusion: The study concluded that the methanolic extract (M. dactyloides fruit) has potential bioactive compounds.

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Network Pharmacology and Experiment Verification to Explore the Potential Mechanism of Yin-Huo-Tang for Lung Adenocarcinoma Recurrence

10.21203/rs.3.rs-956330/v1 ◽

2021 ◽

Author(s):

Dianna Liu ◽

Shicheng Lin ◽

Yuan Li ◽

Tian Zhou ◽

Kaiwen Hu ◽

...

Keyword(s):

Lung Cancer ◽

Molecular Docking ◽

Lung Adenocarcinoma ◽

Signaling Pathway ◽

Rna Sequencing ◽

Network Pharmacology ◽

Phytochemical Analysis ◽

Sequencing Analysis ◽

Lewis Lung ◽

Hub Genes

Abstract BackgroundLung adenocarcinoma (LUAD) is one of the most common malignancies with a rise in new cases worldwide each year. Recurrence significantly influences the survival in patients with LUAD. Yin-Huo-Tang (YHT) is a classic traditional Chinese prescription, used to prevent lung cancer relapse by “nourishing yin and clearing heat”. MethodsIn this study, the mechanism of YHT in LUAD recurrence was investigated. Firstly, the bioactive compounds-targets network and the protein–protein interaction network were constructed, and functional annotation and pathway enrichment analyses were performed. Pivotal compounds and hub genes were selected from the networks. Subsequently, the effectiveness of YHT was confirmed in lewis lung carcinoma mice. RNA sequencing was used to explore the mRNA expression differences between tumor tissues in the model mouses and YHT-treated mouses. The pathways screened by network pharmacology and RNA sequencing analysis at the same time were considered the most important pathways. At last, qualitative phytochemical analysis, molecular docking technology, PCR and WB analysis were used to validate the pivotal active ingredients, hub genes and main pathways.ResultsThere were 128 active compounds, 419 targets interacting with LUAD recurrence. Network analysis identified 4 pivotal compounds, 28 hub genes and 30 main pathways. Target genes mainly focused on inflammation, metabolism, immune responses and apoptosis. We confirmed that YHT could inhibit the recurrence of lung adenocarcinoma through animal experimental study. Sphingolipid signaling pathway was the common main pathway in network pharmacology and RNA sequencing results. The hub genes related with the sphingolipid signaling pathway was S1PR5. Qualitative phytochemical analysis of the water extract of YHT confirmed the presence of 3 pivotal compounds, namely stigmasterol, nootkatone and ergotamine. The results of molecular docking verified the pivotal compounds of YHT could good affinity with the S1PR5. The PCR and WB analysis verified YHT suppressed lewis lung cancer cells proliferation by inhibiting S1P/S1PR5/Gi/Ras/Raf/MEK/ERK pathway, and inhibited migration through S1P/S1PR5/Gi/PI3K/RAC pathway.ConclusionThe results confirmed the therapeutic effect of YHT on the recurrence of LUAD by multi-component-multi-target mode, the sphingolipid signaling pathway was one of the most relevant potential signaling pathways.

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Computational Analysis for Physicochemical Properties of Compounds in Senna auriculata Leaves Methanolic Extract to have Antidiabetic Potentials and their Molecular Interaction with α-amylase

Journal of Pharmaceutical Research International ◽

10.9734/jpri/2021/v33i54a33716 ◽

2021 ◽

pp. 30-42

Author(s):

Abdulaziz Bin Dukhyil

Keyword(s):

Molecular Docking ◽

Physicochemical Properties ◽

Methanolic Extract ◽

Natural Compounds ◽

Physicochemical Analysis ◽

Dynamics Simulation ◽

Carbohydrate Hydrolysis ◽

Catalytic Active Site ◽

Inhibitory Potential

Aims: Diabetes mellitus (DM) is chronic disorder well known for increased glucose level in blood. This disease can be controlled by inhibiting the enzyme (e.g., α-amylase) involve in carbohydrate hydrolysis. Senna auriculata leaves methanolic extract (SALME) have potential antidiabetic properties and it was also found to be safe in preclinical studies. In this study the aim was to explore the molecular interactions of α-amylase and bioactive compounds in SALME and their physicochemical properties. Methodology: Computational approach such as molecular docking and physicochemical analysis prediction was applied to understand the antidiabetic potential of natural compounds present in SALME. Results: The results showed from physicochemical analysis that out of 11 only 7 compounds are having drug like properties which are orally and intestinally better bioavailable. Furthermore, molecular docking analysis explained that three compounds (C3, C4, and C7) have lower binding energy, ΔG (-8, -9.1, -9.5 kcal/mol) and better binding affinity, Ki (7.31 x 105, 4.68 x 106, and 9.2 x 106 M-1, respectively) than the acarbose ΔG (-7.8 kcal/mol) and Ki (6.18 x 105 M-1), a well-known FDA approved medication for DM. The study also explained the binding pattern that the catalytic residue such as Asp197, Glu233 and Asp300 are involved in stabilizing the natural compounds with in the catalytic active site of target enzyme. Conclusions: From the results it has been concluded that these three compounds found in SALME have better inhibitory potential for α-amylase in comparison with acarbose. Further validation of the findings is required through molecular dynamics simulation, ADME-T study, and in-vitro enzyme inhibition by the purified compounds.

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Study on antibacterial activity of Calotropis procera

10.7287/peerj.preprints.430 ◽

2014 ◽

Author(s):

Muhammad Muzammal

Keyword(s):

Antimicrobial Activity ◽

Antibacterial Activity ◽

Methanolic Extract ◽

Ethanolic Extract ◽

Salmonella Typhi ◽

Calotropis Procera ◽

Phytochemical Analysis ◽

Zone Of Inhibition ◽

Crude Extracts ◽

Mic Value

Comparative study of plant extracts crude and aqueous, methanolic and ethanolic with antibiotics, provide evidence that calotropis procera extracts has the similar antibacterial activity as these antibiotics against test pathogens i.e. Salmonella typhi and E.coli. The analysis of antimicrobial activity of aqueous, methanolic and ethanolic extract of leaves and flower of Calotropis procera was carried out in disc method and also determined MIC value at 600nm through optical density using spectrophotometer. The zone of inhibition produced by extracts was examined and compares it with zone produced by antibiotics. The effect exhibited by ethanolic extract of leaves and flower was significantly greater than the aqueous and methanolic extract of leaves and flower. Crude extracts i.e. latex, leaves, fruit and flower crude extracts. Among them, flower crude extracts shows similar zone of inhibition to test anitibiotics.while in MIC value, we made different concentration of extracts and antibiotics.i.e for crude we made 25%, 50%.75% and 100% concentration of crude juice and for the aqueous, methanolic and ethanolic we made 0.5mg/mL,1mg/mL,2mg/mL,3mg/mL,4mg/mL, 5mg/mL and 6mg/mL in Dimethyl salfoxide, and same antibiotics concentration. Aqueous leaves extracts show MIC at 0.5mg/ml against E.coli while against Salmonella it shows MIC at 1mg/ml... We also determine phytochemical analysis for presences of different compounds in crude extracts. The obtained results provide a support for the use of Calotropis procera, in traditional medicine and suggest its further advance investigation.

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Histopathological Studies on the Effects of Chloroform and Methanolic Extracts of Ilex kudingcha in Trypanosoma brucei Infected Albino Wistar Rats

Recent Advances in Biology and Medicine ◽

10.18639/rabm.2018.04.735155 ◽

2018 ◽

Vol 04 ◽

pp. 50

Author(s):

Olajoju. T. Soniran ◽

Kalu. K. Ngele ◽

Christopher. O. Alisa ◽

Damilola. A. Omoboyowa ◽

Nnabude. H. Agu ◽

...

Keyword(s):

Trypanosoma Brucei ◽

Wistar Rats ◽

Methanolic Extract ◽

Phytochemical Analysis ◽

Diminazene Aceturate ◽

Leaf Extracts ◽

Standard Drug ◽

Phytochemical Study ◽

Reference Drug ◽

Histopathological Studies

Histopathological studies of the effects of chloroform and methanolic leaf extracts of Ilex kudingcha in Trypanosoma brucei infected albino wistar rats were investigated. The toxicity and phytochemical study were also carried out using standard protocol. T. brucei infected animals were administered orally with 200 and 400 mg/kg b.w. of the extracts and 3.5 mg/kg b.w. of the standard drug (diminazene aceturate). Results on acute toxicity studies (LD50) revealed no sign of lethality up to the dose of 5,000 mg/kg body weight but the liver and kidney histology of infected animals treated with 5,000 mg/kg b.w. of I. kudingcha extracts were observed to be hepatotoxic and nephrotoxic. The methanol extracts showed appreciably high in vivo anti-trypanosomal activities compared to the reference drug. Histological examination of the organs revealed serious pathological lesions in the liver of the infected animals without treatment (negative control). In the positive control animals (infected animals administered standard drug), mild multifocal aggregate of inflammatory leucocytes was observed. In the other experimental animals, no pathological lesion was observed in the liver, kidney, brain, and heart of infected animals treated with the methanolic extract and combined methanol and chloroform extracts. The effectiveness of the methanolic extract at reducing the lesions caused by the parasite is the same compared with the standard drug. Phytochemical analysis of the plant extracts showed that methanol extract contained appreciable high levels of alkaloids, saponin, tannins, phenol, and glycoside while flavonoid was not detected. Hence, the curative properties of methanolic extract of I. kudingcha as observed in the organs indicate its anti-trypanosomal properties but it should be consumed at minimal doses.

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ENIGMATIC INDUCTION OF CYTOMIXIS IN ALLIUM CEPA ROOT MERISTEM BY AGLAIA EDULIS ROXB. LEAF EXTRACT AND ITS PHYTOCHEMICAL RATIONALE

Asian Journal of Pharmaceutical and Clinical Research ◽

10.22159/ajpcr.2020.v13i3.36429 ◽

2020 ◽

pp. 168-171

Author(s):

ARCHANA ELAMKULAM RAVINDRAN ◽

JOHN ERNEST THOPPIL

Keyword(s):

Allium Cepa ◽

Leaf Extract ◽

Root Meristem ◽

Methanolic Extract ◽

Synergistic Action ◽

Mass Spectrometry Analysis ◽

Gas Chromatography Mass Spectrometry ◽

Phytochemical Analysis ◽

Spectrometry Analysis ◽

Dose Dependent

Objective: The present study aims to analyze the potential of Aglaia edulis Roxb. leaf extract to induce cytological aberrations in Allium cepa root meristem and to determine the phytoconstituents in the extract. Methods: Cytotoxicity evaluation of the leaf methanolic extract was done using Allium cepa assay using various concentrations. Volatile phytoconstituents in the extract were determined using gas chromatography–mass spectrometry analysis. Results: Considerable number of cytomictic cells along with other aberrations was observed. The occurrence of cytomixis was found to be dose dependent where it ranged from 6.58±0.35 to 29.45±0.45. The percentage of cytomictic cells among the total aberrant cells was observed between 35.19±1.67 and 77.39±1.39. The phytochemical analysis of the plant extract revealed the presence of active secondary metabolites. Conclusion: The synergistic action of the active compounds might have triggered the phenomenon of cytomixis which, in turn, could be exploited for the production of polyploids.

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Phytochemical Analysis and Biological Investigation of Nepeta juncea Benth. Different Extracts

Plants ◽

10.3390/plants9050646 ◽

2020 ◽

Vol 9 (5) ◽

pp. 646 ◽

Cited By ~ 1

Author(s):

Majid Sharifi-Rad ◽

Francesco Epifano ◽

Serena Fiorito ◽

José M. Álvarez-Suarez

Keyword(s):

Inhibitory Concentration ◽

Methanolic Extract ◽

Radical Scavenging ◽

Dry Weight ◽

Antibacterial Activities ◽

Gas Chromatography Mass Spectrometry ◽

Phytochemical Analysis ◽

Biological Investigation ◽

First Time ◽

Dpph Radical Scavenging

This study was carried out to screen the amount and the classes of secondary metabolites and to evaluate the antioxidant, cytotoxic, antifungal, and antibacterial activities of the methanolic, ethanolic, and water extracts of the roots, leaves, and flowers of Nepeta juncea Benth. The results show that the highest total phenol (69.54 ± 0.31 mg gallic acid equivalents (GAE)/g dry weight), total flavonoid (41.37 ± 0.17 mg quercetin equivalents (QE)/g dry weight), anthocyanin (6.52 ± 0.21 mg cyanidin/100 g dry weight), and tannin (47.36 ± 0.33 mg catechin/g dry weight) concentrations were recorded in the methanolic extract of the leaves of N. juncea. The gas chromatography–mass spectrometry (GC–MS) analysis of the extracts showed that 1,8-cineole, 4aα-7α-7aα-nepetalactone, β-pinene, terpinen-4-ol, and α-terpineol were the major compounds, respectively. The best 2, 2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and ferric-reducing antioxidant, cytotoxic, antifungal, and antibacterial activities were observed for the methanolic extract of the leaves. For the two latter activities, the best activity was revealed on Staphylococcus aureus, Bacillus cereus, and Candida albicans. The minimum inhibitory concentration (MIC) values for the antimicrobial of the methanolic extract from the leaves were in the range of 25–100 µg/mL, whereas the minimum bactericidal concentration (MBC) values were in the range of 50–200 µg/mL. The results reported herein show that, for the first time in the literature, N. juncea is a remarkable source of antioxidant, antifungal, and antibacterial compounds.

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