Spectral characterization of the bioactive principles and antibacterial properties of cold methanolic extract of Olea europaea from the Hail region of Saudi Arabia

This work aimed to identify the bioactive constituents and antibacterial activity of a cold methanolic extract of Olea europaea leaves. GC–MS analysis of the cold methanolic extract of the leaves of O. europaea L. revealed several unique bioactive compounds, including 9,12-octadecadienoic acid (Z,Z)-, n-hexadecanoic acid, 9-octadecenamide, (Z)-, hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester, squalene, 2-(2-Hydroxy-2-phenylethyl)-3,5,6-trimethylpyrazine, Benzoic acid, 4-formyl-, methyl ester, 2-Methoxy-4-vinylphenol, Vitamin E etc. The FT-IR spectrum revealed distinct fingerprint regions at 3313, 2943, 2831, 1662, 1590, 1449, 1300, 1111, and 1020 cm^?1. The fingerprinting region is associated with the presence of several bioactive chemicals as determined by GC–MS analyses. The methanolic extract of O. europaea leaves revealed a broader spectrum of antibacterial activity. On the other hand, the spectrum of activity was substantially narrower than that of standard ciprofloxacin discs.     

Polar constituents of <Emphasis Type="Italic">Ligustrum vulgare</Emphasis> L. and their effect on lipoxygenase activity

The present work summarizes results of isolation and identification of polar constituents of the methanolic extract of Ligustrum vulgare L. leaves and of the evaluation of inhibiting activity of selected isolates on rat lung cytosol fraction lipoxygenase. Six different compounds were isolated from the ethylacetate and butanol portions of the methanolic extract (hydroxytyrosol and its glucoside, ligustroflavon, oleuropein, acteoside, echinacoside). The inhibitory activity of oleuropein, echinacoside and the water infusion of Ligustrum vulgare leaves tested on LOX was expressed as IC₅₀. Kinetic parameters (K _M, V _max) and type of inhibition were determined. As the most effective in competitive inhibition of LOX, oleuropein was proved.     

Phytochemical profiling,in vitro biological activities,and in-silico molecular docking studies of Typha domingensis

A comparative study between methanolic extract and n-hexane fraction of Typha domingensis (Typhaceae) was conducted for the evaluation of phytochemical potential, in vitro biological activities, and in-silico molecular docking studies. The phytochemical composition was estimated by total phenolic and total flavonoid contents, and by GC–MS analysis. Several biological activities were performed such as antioxidant assays (ABTS, FRAP, DPPH, & CUPRAC), enzyme inhibition activity (Tyrosinase, Acetylcholinesterase & Butyrylcholinesterase), thrombolytic activity, and antimicrobial activity (antibacterial & antiviral) to evaluate the medicinal importance of Typha domingensis. The results of the comparative study showed that methanolic extract has more total phenolic and total flavonoid contents (95.72 ± 5.76 mg GAE/g, 131.66 ± 7.92 mg QE/g, respectively) as compared to n-hexane fraction which confirms its maximum antioxidant potential (ABTS 114.31 ± 8.17, FRAP 116.84 ± 3.01, DPPH 283.54 ± 7.3 & CUPRAC 284.16 ± 6.5 mg TE/g). In the case of in vitro enzyme inhibition study and thrombolytic activity, better results were observed for methanolic extract. Almost similar antimicrobial patterns were observed for both methanolic extract and n-hexane fraction of Typha domingensis. The major bioactive phytochemicals identified by GC–MS were further analyzed for in-silico molecular docking studies to determine the binding affinity between ligands and the enzymes. The docking study indicated that most of the bioactive compounds showed a better binding affinity with enzymes as compared to the standard compounds (kojic acid & galantamine). The results of this study recommended that Typha domingensis has promising pharmaceutical importance and it should be further analyzed for the isolation of bioactive phytochemicals which may be useful for the treatment of several diseases.     

Phytochemical Profiling,In Vitro Biological Activities,and In Silico Molecular Docking Studies of Dracaena reflexa

Dracaena reflexa, a traditionally significant medicinal plant, has not been extensively explored before for its phytochemical and biological potential. The present study was conducted to evaluate the bioactive phytochemicals and in vitro biological activities of D. reflexa, and perform in silico molecular docking validation of D. reflexa. The bioactive phytochemicals were assessed by preliminary phytochemical testing, total bioactive contents, and GC-MS analysis. For biological evaluation, the antioxidant (DPPH, ABTS, CUPRAC, and ABTS), antibacterial, thrombolytic, and enzyme inhibition (tyrosinase and cholinesterase enzymes) potential were determined. The highest level of total phenolic contents (92.72 ± 0.79 mg GAE/g extract) was found in the n-butanol fraction while the maximum total flavonoid content (110 ± 0.83 mg QE/g extract) was observed in methanolic extract. The results showed that n-butanol fraction exhibited very significant tyrosinase inhibition activity (73.46 ± 0.80) and acetylcholinesterase inhibition activity (64.06 ± 2.65%) as compared to other fractions and comparable to the standard compounds (kojic acid and galantamine). The methanolic extract was considered to have moderate butyrylcholinesterase inhibition activity (50.97 ± 063) as compared to the standard compound galantamine (53.671 ± 0.97%). The GC-MS analysis of the n-hexane fraction resulted in the tentative identification of 120 bioactive phytochemicals. Furthermore, the major compounds as identified by GC-MS were analyzed using in silico molecular docking studies to determine the binding affinity between the ligands and the enzymes (tyrosinase, acetylcholinesterase, and butyrylcholinesterase enzymes). The results of this study suggest that Dracaena reflexa has unquestionable pharmaceutical importance and it should be further explored for the isolation of secondary metabolites that can be employed for the treatment of different diseases.     

Antioxidant activity and total phenols from the methanolic extract of Miconia albicans (Sw.) Triana leaves

Miconia is one of the largest genus of the Melastomataceae, with approximately 1,000 species. Studies aiming to describe the diverse biological activities of the Miconia species have shown promising results, such as analgesic, antimicrobial and trypanocidal properties. M. albicans leaves were dried, powdered and extracted to afford chloroformic and methanolic extracts. Total phenolic contents in the methanolic extract were determined according to modified Folin-Ciocalteu method. The antioxidant activity was measured using AAPH and DPPH radical assays. Chemical analysis was performed with the n-butanol fraction of the methanolic extract and the chloroformic extract, using different chromatographic techniques (CC, HPLC). The structural elucidation of compounds was performed using 500 MHz NMR and HPLC methods. The methanolic extract showed a high level of total phenolic contents; the results with antioxidant assays showed that the methanolic extract, the n-butanolic fraction and the isolated flavonoids from M. albicans had a significant scavenging capacity against AAPH and DPPH. Quercetin, quercetin-3-O-glucoside, rutin, 3-(E)-p-coumaroyl-α-amyrin was isolated from the n-butanolic fraction and α-amyrin, epi-betulinic acid, ursolic acid, epi-ursolic acid from the chloroformic extract. The results presented in this study demonstrate that M. albicans is a promising species in the search for biologically active compounds.     

Bioactive principles,anti-diabetic,and anti-ulcer activities of Ducrosia anethifolia Boiss leaves from the Hail region,Saudi Arabia

This work aimed to identify the bioactive constituents of Ducrosia anethifolia Boiss eaves through cold methanolic extract. The GC–MS study of cold methanolic extract showed the presence of various pharmaceutically important bioactive compounds with unique peaks at specified retention time. The significant compounds are α-linoleic acid, α-sitosterol, n-hexadecanoic acid, palmitic acid β-monoglyceride, 2-methoxy-4-vinylphenol and benzoic acid, methyl ester. The FT-IR study showed them fingerprint region at 3326.80, 2943.53, 2831.74, 1450, 1110.67 and 1020.80 cm^?1. The FT-IR study suggested the presence of glycosides, flavonoids, tannins, steroids, saponins, fatty acids and squalene. Oral administration of Ducrosia anethifolia Boiss leaves powder (DLP) (100 mg/kg body weight) was successfully reduced the blood sugar level after 14 d treatment in STZ (50 mg/kg bodyweight) induced diabetic rats significantly from 327.93 ± 24.5 to 171 0.03 ± 3.78 mg/dL. Furthermore, DLP (400 mg/kg body weight) was showed 74 ± 1.9 % inhibition of ulcer. The results of this study showed that DLP has both anti-diabetic and anti-ulcer characteristics when tested in vivo.     

Leaves of Chenopodium album as source of natural fungicides against Sclertium rolfsii

Series of experiments were conducted to identify the possible antifungal components of Chenopodium album leaves for the management of a highly destructive soil-borne fungal pathogen Sclerotium rolfsii. A 4% methanolic extract caused up to 82% reduction in biomass of the target organism. This extract was partitioned using solvents of variable polarities, and the obtained subfractions were evaluated for their activity against S. rolfsii. The best antifungal activity was detected for the ethyl acetate subfraction (60–74%) followed by n-hexane (51–69%), n-butanol (50–60%), chloroform (20–40%) while the aqueous sub-fraction had the lowest activity (9–35%) as detected by the decrease in biomass of the pathogen. Ethyl acetate and n-hexane sub-fractions were analyzed for their chemical constituents by GC–MS technique. Literature survey showed that among the identified compounds kitazin P, imidazole-4-carboxylic acid, 2-fluoro-1-methoxymethyl-, ethyl ester and 9,12,15-octadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z)- had antifungal activities against other fungal species and could be responsible for control of S. rolfsii by methanolic extract in the present study.     

High-Resolution UPLC-MS Profiling of Anthocyanins and Flavonols of Red Cabbage (Brassica oleracea L. var. capitata f. rubra DC.) Cultivated in Egypt and Evaluation of Their Biological Activity

In this paper, biological investigations and a high-resolution UPLC-PDA-ESI-qTOF-HRMS technique were employed for Brassica oleracea L. var. capitata f. rubra DC. (red cabbage) of the family Brassicaceae (Cruciferae), cultivated in Egypt, for the first time. The positive ionization mode is usually performed to identify anthocyanins. However, this technique cannot differentiate between anthocyanins and corresponding non-anthocyanin polyphenols. Thus, the negative ionization mode was also used, as it provided a series of characteristic ions for the MS analysis of anthocyanins. This helped in identifying five kaempferol derivatives for the first time in red cabbage, as well as nine—previously reported—anthocyanins. For the biological investigations, the acidified methanolic extract of fresh leaves and the methanolic extract of air-dried powdered leaves were examined for their antioxidant, antimicrobial, and anticancer activities. The freshly prepared phenolic extract was proven to be more biologically potent. Statistical significance was determined for its anticancer activity in comparison with standard doxorubicin.     

Flavanone Glycosides,Triterpenes, Volatile Compounds and Antimicrobial Activity of Miconia minutiflora (Bonpl.) DC. (Melastomataceae)

Chemical composition of the essential oils and extracts and the antimicrobial activity of Miconia minutiflora were investigated. The flavanone glycosides, pinocembroside and pinocembrin-7-O-[4″,6″-HHDP]-β-D-glucose, were identified, along with other compounds that belong mainly to the triterpene class, besides the phenolics, gallic acid and methyl gallate. Sesquiterpenes and monoterpenes were the major compounds identified from the essential oils. Screening for antimicrobial activity from the methanolic extract of the leaves showed that the MIC and MMC values against the tested microorganisms ranged from 0.625 to 5 mg·mL⁻¹ and that the extract was active against microorganisms, Staphyloccocus aureus, Escherichia coli, and Bacillus cereus.     

Phytochemical Profile,Antioxidant Activity,and Cytotoxicity Assessment of Tagetes erecta L. Flowers

Tagetes erecta L. is a popular ornamental plant of the Asteraceae family, which is widely cultivated not only for its decorative use, but also for the extraction of lutein. Besides carotenoid representatives, which have been extensively studied, other important classes of secondary metabolites present in the plant, such as polyphenols, could exhibit important biological activities. The phytochemical analysis of a methanolic extract obtained from T. erecta inflorescences was achieved using liquid chromatography–mass spectrometry (LC-MS) techniques. The extract was further subjected to a multistep purification process, which allowed the separation of different fractions. The total extract and its fractions contain several polyphenolic compounds, such as hydroxybenzoic and hydroxycinnamic acid derivatives, flavonols (especially quercetagetin glycosides), and several aglycons (e.g., quercetin, patuletin). One of the fractions, containing mostly quercetagitrin, was subjected to two different antioxidant assays (metal chelating activity and lipoxygenase inhibition) and to in vitro cytotoxicity assessment. Generally, the biological assays showed promising results for the investigated fraction compared to the initial extract. Given the encouraging outcome of the in vitro assays, further purification and structural analysis of compounds from T. erecta extracts, as well as further in vivo investigations are justified.     

HESI-MS/MS Analysis of Phenolic Compounds from Calendula aegyptiaca Fruits Extracts and Evaluation of Their Antioxidant Activities

Considering medicinal plants as an inexhaustible source of active ingredients that may be easily isolated using simple and inexpensive techniques, phytotherapy is becoming increasingly popular. Various experimental approaches and analytical methods have been used to demonstrate that the genus Calendula (Asteraceae) has a particular richness in active ingredients, especially phenolic compounds, which justifies the growing interest in scientific studies on this genus’ species. From a chemical and biological viewpoint, Calendula aegyptiaca is a little-studied plant. For the first time, high-performance liquid chromatography combined with negative electrospray ionization mass spectrometry (HPLC-HESI-MS) was used to analyze methanolic extracts of Calendula aegyptiaca (C. aegyptiaca) fruits. Thirty-five molecules were identified. Flavonoids (47.87%), phenolic acids (5.18%), and saponins (6.47%) formed the majority of these chemicals. Rutin, caffeic acid hexoside, and Soyasaponin βg’ were the most abundant molecules in the fruit methanolic extract, accounting for 17.49% of total flavonoids, 2.32 % of total phenolic acids, and 0.95% of total saponins, respectively. The antioxidant activity of the fruit extracts of C. aegyptiaca was investigated using FRAP, TAC, and DPPH as well as flavonoids and total phenols content. Because the phenolic components were more extractable using polar solvents, the antioxidant activity of the methanolic extract was found to be higher than that of the dichloromethane and hexane extracts. The IC50 value for DPPH of methanolic extract was found to be 0.041 mg·mL⁻¹. Our findings showed that C. aegyptiaca is an important source of physiologically active compounds.     

Homoisoflavanones from Lespedeza juncea

Two unusual homoisoflavanone compounds named lesjunceol (1) and lesjuncerol (2) were isolated from the aerial parts of the methanolic extract of Lespedeza juncea apart from the other known constituents myrcetin and ß-sitosterol. All the compounds were characterized on the basis of chemical derivatization and spectroscopic methods.     

In Vitro Alpha-Glucosidase Inhibitory Activity and the Isolation of Luteolin from the Flower of Gymnanthemum amygdalinum (Delile) Sch. Bip ex Walp.

Diabetes mellitus is a major health issue that has posed a significant challenge over the years. Gymnanthemum amygdalinum is a well-known plant that can be potentially used to treat this disease. Therefore, this study aimed to evaluate the inhibitory effect of its root, stem bark, leaves, and flower extracts on alpha-glucosidase using an in vitro inhibition assay to isolate the bioactive compounds and determine their levels in the samples. The air-dried plant parts were extracted by maceration using methanol. The results showed that the flower extract had the greatest inhibitory effect (IC50 47.29 ± 1.12 µg/mL), followed by the leaves, roots, and stem bark. The methanolic flower extract was further fractionated with different solvents, and the ethyl acetate fraction showed the strongest activity (IC50 19.24 ± 0.12 µg/mL). Meanwhile, acarbose was used as a positive control (IC50 73.36 ± 3.05 µg/mL). Characterization based on UV, 1H-, and 13C-NMR established that the ethyl acetate fraction yielded two flavonoid compounds, namely, luteolin and 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-on, which had IC50 values of 6.53 ± 0.16 µg/mL and 39.95 ± 1.59 µg/mL, respectively. The luteolin levels in the crude drug, methanolic extract, and ethyl acetate fraction were 3.4 ± 0.2 mg (0.3%), 32.4 ± 0.8 mg (3.2%), and 68.9 ± 3.4 mg (6.9%) per 1 g samples, respectively. These results indicated that the G. amygdalinum flower extract exerted potent inhibitory alpha-glucosidase activity.     

LC-ESI-MS/MS profiling of alkaloids and antiproliferative activity of Pachypoduim lamerei drake leaves

Abstract

In the present study, evaluation of the antiproliferative activity of Pachypodium lamerei Drake leaves (family Apocyaceae) against human breast cancer cell lines MDA-MB-231 was done for the total methanolic extract, crude alkaloidal mixture and ursolic acid using the MTT colorimetric assay. The methanolic extract showed the strongest antiproliferative activity followed by ursolic acid and crude alkaloidal fraction with an IC₅₀ equal to 6.2, 14.55 and 56.3?µg/ml respectively compared to oleocanthal. It is the first record for the LC/ESI-MS/MS alkaloidal profiling of the leaves of P. lamerei. Seven alkaloids were tentatively identified according to their fragmentation patterns. Four alkaloids were related to the parent indole class and two alkaloids belong to the quinoline class in addition to one steroidal alkaloid with a pregnan nucleus. Phytochemical investigation of the methanolic extract led to the isolation of three triterpenoidal compounds including ursolic acid, 11,12-didehydroursolic acid lactone and ursolic acid lactone.     

Chromatographic Separation of Breynia retusa (Dennst.) Alston Bark,Fruit and Leaf Constituents from Bioactive Extracts

Breynia retusa (Dennst.) Alston (also known as Cup Saucer plant) is a food plant with wide applications in traditional medicine, particularly in Ayurveda. Extracts obtained with four solvents (dichloromethane, methanol, ethyl acetate and water), from three plant parts, (fruit, leaf and bark) were obtained. Extracts were tested for total phenolic, flavonoid content and antioxidant activities using a battery of assays including 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), ferric reducing antioxidant power (FRAP), cupric reducing antioxidant capacity (CUPRAC), total antioxidant capacity (TAC) (phosphomolybdenum) and metal chelating. Enzyme inhibitory effects were investigated using acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, α-amylase and α-glucosidase as target enzymes. Results showed that the methanolic bark extract exhibited significant radical scavenging activity (DPPH: 202.09 ± 0.15; ABTS: 490.12 ± 0.18 mg Trolox equivalent (TE)/g), reducing potential (FRAP: 325.86 ± 4.36: CUPRAC: 661.82 ± 0.40 mg TE/g) and possessed the highest TAC (3.33 ± 0.13 mmol TE/g). The methanolic extracts were subjected to LC-DAD-MSⁿ and NMR analysis. A two-column LC method was developed to separate constituents, allowing to identify and quantify forty-four and fifteen constituents in bark and fruits, respectively. Main compound in bark was epicatechin-3-O-sulphate and isolation of compound was performed to confirm its identity. Bark extract contained catechins, procyanidins, gallic acid derivatives and the sulfur containing spiroketal named breynins. Aerial parts mostly contained flavonoid glycosides. Considering the bioassays, the methanolic bark extract resulted a potent tyrosinase (152.79 ± 0.27 mg kojic acid equivalent/g), α-amylase (0.99 ± 0.01 mmol acarbose equivalent ACAE/g) and α-glucosidase (2.16 ± 0.01 mmol ACAE/g) inhibitor. In conclusion, methanol is able to extract the efficiently the phytoconstituents of B. retusa and the bark is the most valuable source of compounds.     

Phytochemical,antioxidant, enzyme inhibitory,thrombolytic, antibacterial,antiviral and in silico studies of Acacia jacquemontii leaves

The main objective of this work was to gain insight into biological propensities, and bioactive phytochemicals of Acacia jacquemontii Benth, a wild plant providing medicinal components, as well as to establish a link between its phytochemical profile and biological activities. Phytochemical profiling revealed the presence of a higher amount of total phenolic (271.44 ± 4.41 mg GAE/g) and flavonoid contents (216.47 ± 5.82 mg QE/g) in methanolic extract (MEAJ), and as compared to n-hexane fraction (HEAJ) and stronger biological activities of MEAJ were possibly linked to the higher bioactive contents. The freshly collected plant leaves showed a strong antioxidant potential (total antioxidant capacity 1.03 ± 0.19 mmol TE/g), which was found even stronger in dried methanolic extract (TAC; 4.36 ± 1.12 mmol TE/g), moreover, MEAJ also showed strong antioxidant potential when investigated by different antioxidant assays (DPPH; 154.04 ± 2.47, ABTS; 122.36 ± 0.80, FRAP; 453.18 ± 5.9, CUPRAC; 1389.97 ± 5.32 mg TE/g). The MEAJ showed good tyrosinase inhibition activity (71.69 %), compared with 83 % inhibition by kojic acid. Ten major compounds identified by GC–MS were docked and eight legends showed lower binding energies (-6 to ?7.8 kcal/mol) compared with kojic acid (-5.9 kcal/mol), which shows the possible role of these compounds in the anti-tyrosinase activity of the extract, and the ADMET analysis predicted the drug-likeness and safety profile of the studied compounds. The thrombolytic effect of MEAJ was 56.41 ± 0.75 to 57.15 ± 1.41 % which was comparable with streptokinase (82.44 ± 1.15 to 84.14 ± 0.95 %). Antibacterial activity of MEAJ was also good (MEAJ; 0.5–2.0 mg/mL, and co-amoxiclav; 5.0–12.5 µg/mL), and the highest activity was observed against Bacillus subtilis (MEAJ; 0.5 mg/mL, co-amoxiclav; 5.0 µg/mL). The antiviral activity of MEAJ was highly strong (HA titer; 00 to 08) against all the tested strains. It can be concluded that A. jacquemontii is a prospective source of phytochemicals with strong biological activities, and their usage in formulations of natural products and pharmaceuticals is recommended, however, further research may address the discovery and development of novel drugs for the pharmaceutical industry.     

Antioxidant and antimicrobial study of Schefflera vinosa leaves crude extracts against rice pathogens

Plant extracts are one of the best possible sources of bioactive molecules, and are being used globally as an antioxidants and natural antimicrobial compounds. In current study, Schefflera vinosa leaves extract was prepared through Soxhlet extraction procedure using methanol and chloroform as solvents. The extract was investigated for total antioxidant, phenolic and flavonoid contents, free radical scavenging and antimicrobial activities. The free radical scavenging activities were evaluated through 2,2- diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis-3-ethylbenzotiazolin-6-sulfonic acid (ABTS) and Ferric-reducing/ antioxidant power (FRAP) assay. The antimicrobial activity of extract was determined through poisoned food method. The methanolic extract has exhibited high antioxidant, phenolic, and flavonoid activities compared to chloroform extract. Similarly, free radical scavenging activities (ABTS, DPPH and FRAP) were higher in methanolic extract. Further, Fourier-Transform Infrared Spectroscopy (FTIR) used to determine the functional group and Gas chromatography-mass spectrometry (GC–MS) to elucidate volatile composition of the crude extract. Different functional group like N-H, O-H, C-O, C-N, C-H, C=O, C≡C and C-O-H presence indicate the existence of many metabolites in the extracts. GC–MS study identified 61 compounds and subsequently, these molecules were screened virtually using DockThor. Furthermore, antimicrobial study was confirmed against rice pathogens like Magnaporthe oryzae (M. oryzae) and Xanthomonas oryzae pv. oryzae (Xoo). Molecular docking study further suggested that phytomolecules (3-Isopropoxy-1,1,1,7,7,7-hexamethyl-3,5,5-tris (trimethylsiloxy) tetrasiloxane, and 2-Methoxy-5-methylthiophene) targets Histone Deacetylase (HDAC) of M. oryzae and Peptide Deformylase (PDF) of Xoo, which could inhibit their growth. Hence, this study indicated that Schefflera vinosa extracts could be an important ingredient as an antioxidant as well as antimicrobial agent against rice pathogens.     

In silico exploration of anti-Alzheimer's compounds present in methanolic extract of Neolamarckia cadamba bark using GC–MS/MS

Alzheimer’s disease (AD) can be treated by the inhibition of Beta Amyloid protein (Aβ) and inhibition of Acetylcholinesterase (ACHE). Anti-Alzheimer’s potential phytoconstituents from Neolamarckia cadamba methanolic bark extracts were identified through GC–MS/MS analysis and in silico molecular docking analysis. Powdered bark sample was subjected to extract by soxhlet extractor with n-hexane, chloroform and methanol solvents respectively. The methanolic extract was taken for GC–MS/MS analysis, the observed chromatogram was revealed the presence of 61 constituents in the methanolic extract, 59 new phytoconstituents were identified which were not reported earlier as constituents any part of N. cadamba. GC–MS/MS detected phytoconstituents were analysed through the docking analysis by iGEMDOCK software against Aβ (PDB ID: 2LMN) and ACHE (PDB ID: 3LII) and compared with standard known inhibitors of galantamine and curcumin. Docking analysis binding energy was determined and verified by Discovery studio visulaizer. Both inhibition assay top 5 best dock energy compounds were analysed through the in silico modeling through admetSAR web portal for parameters of intestinal absorption, blood brain barrier permeation, carcinogencity, and acute oral toxicity were determined. From that heptadecanoic acid, 16-methyl-, methyl ester; beta-sitosterol acetate and octadecanoic acid, 2-hydroxy-, methyl ester inhibitors were identified. Further the top lead successful compound of each target molecular interactions were detected by LigPlot analysis. From this research these three compounds are best to treat AD than standard. Isolation of individual compounds would, however, help to find new compounds for other diseases and lead molecules for AD were identified.     

Pharmacological Activities and Characterization of Phenolic and Flavonoid Compounds in Methanolic Extract of Euphorbia cuneata Vahl Aerial Parts

Euphorbia cuneata Vahl. (Euphorbiaceae) is a plant used in folk medicine for the treatment of pain and inflammation, although the biological basis for these effects has not been thoroughly investigated. The goal of this study was to investigate the pharmacological properties and characterization of phenolic and flavonoid compounds present in the aerial parts of E. cuneata. E. cuneata aerial parts were tested for antioxidant activity (DPPH), antibacterial activity, cell viability and cytotoxic effects, and anti-inflammatory activity. Phenolic and flavonoid contents (HPLC), and volatile constituents (GC-MS) were also characterized. The methanol extract had the highest antioxidant activity, while the ether extract had the lowest. The antioxidant activity of E. cuneata extract increased from (21.11%) at a concentration of 10 µg/mL to (95.53%) at a concentration of 1280 µg/mL. S. aureus was the most sensitive organism with the highest zone of inhibition and lowest MIC, with acetone extract; whereas C. tropicalis was the most resistant, with the lowest inhibition zone. MTT assay revealed that the methanol extract of E. cuneata had significant cytotoxic effects on the A549, Caco-2, and MDA-MB-231 cell lines, respectively. Lower concentrations of methanolic extract gave anti-inflammatory activity, and those effects were compared with indomethacin as a positive control. Pyrogallol was the most abundant phenolic acid, followed by caffeic, p-coumaric, ferulic, syringic, and gallic acids, respectively. The 7-hydroxyflavone and rutin flavonoids were also found in the extract. GC-mass analysis showed that aerial parts of E. cuneata were rich in methyl 12-hydroxy-9-octadecenoate. The volatile components were also composed of considerable amounts of hexadecanoic acid, methyl ester, (9E,12E)-octadeca-9,12-dienoyl chloride, and methyl octadeca-9,12-dienoate as well as a little amount of hexanal dimethyl acetal. It can be concluded that methanolic extract of E. cuneata could be used as an available source of natural bioactive constituents with consequent health benefits.     

Bioactive molecules in Kalanchoe pinnata leaves: extraction, purification, and identification

Kalanchoe pinnata (Lam.) Pers. (syn. Bryophyllum pinnatum; family Crassulaceae) is a popular plant used in traditional medicine in many temperate regions of the world and particularly in South America. In Guyana, the leaves are traditionally used as an anti-inflammatory and antiseptic to treat coughs, ulcers, and sores. The purpose of this study was to implement a method for targeting and identifying molecules with antimicrobial activity, which could replace chemical preservatives in cosmetic applications. The leaves were extracted by a method based on pressurized liquid extraction (PLE), using different solvents. A study of antimicrobial activity and cytotoxicity tests were performed to select the most interesting extract. To isolate one or more active molecules, the selected crude extract was fractionated by centrifugal partition chromatography (CPC) and then antimicrobial activity and cytotoxicity of each fraction were tested under the same procedure. The last step consisted of identifying the main compounds in the most active fraction by LC-MS/MS.