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Highlights • Buddleia indica is somewhat a neglected species in Scrophulariaceae. • The botanical and genetic features provide an evidence for Buddleia identification. • This helps in distinction of Buddleia indica from other Scrophulariaceae plants. • HPTLC chromatograms of Buddleia indica revealed its richness by phenolics. • Detailed characterization prevents the adulteration of the herbal drug. Abstract Buddleia indica Lam is an evergreen African shrub, native to Madagascar. Botanical investigations were done on the entire fresh plant leaves, old and young roots and stems, their histological sections as well as air-dried finely powdered samples. Genetic profiling and DNA fingerprinting were accomplished using RAPD-PCR technique (Random Amplified Polymorphic DNR- Poymerase Chain Reaction). Preliminary metabolic screening was performed using high performance thin layer chromatography (HPTLC) analysis. Botanical study of Buddleia indica revealed the presence of non –glandular 4-armed stellate trichomes, cruciferous stomata in the leaves, and the existence of U- shaped median vascular strand accompanied by small accessory bundles in the wings of its petiole all showed its close similarity to the Buddleioideae. Additionally, the cork in the stem that arouses from the pericycle (pericylic cork) and the pericycle which forms a loose ring of fibers surrounding the collateral vascular bundles are common characteristic among the members of Buddleioideae On the genetic level, it can be concluded that the most discriminative and relevant fragment resulting from the successful combination of template and primer was that produced by two primers OPA-09 and OPA-06 followed by OPA-07 RAPD primers attributing to the generation of 14, 13 and 12 amplified DNA fragments. Examination of HPTLC chromatograms of the leaves methanol extract showed ten major spots existing at different percentages that give bluish green color upon spraying with ferric chloride solution indicating its richness by phenolic compounds. Buddleia indica is rich in phenolic compounds and it belongs to Buddleioideae owing to the botanical resemblance. [ABSTRACT FROM AUTHOR]

Phytochemical investigation of the methanol extracts of the aerial parts of Astragalus turkestanus and A. xапthomeloides using various chromatographic techniques resulted in the isolation and structural elucidation of two new flavonoid glycosides, namely, 7-methoxy kaempferol-3- O -α- l -arabinosyl-(1 → 6)- β - d -galactopyranoside (3) from the former and kaempferol-3- O-α - l -rhamnopyranosyl-7- O -α- l -rhamnopyranosyl-(1 → 6)- β - d - galactopyranoside (6) from the latter. In addition five other known compounds were isolated for the first time from these species. In silico molecular modeling study was carried out on α-glucosidase (PDB ID 3TOP ; 2.88 A°) to assess the α-glucosidase inhibitory activity of the isolated compounds. Both compounds 3 and 6 displayed the highest fitting score with ΔG equals to −82.10 and −67.66 Kcal/mol in the pH-based ionization method and −68.55 and −67.83 Kcal/mol in the rule-based ionization method, respectively. α-Glucosidase inhibitory activity was further asserted in vitro using an ELISA assay that is measured colorimetrically at 405 nm. Compound 3 showed a significant α-glucosidase inhibitory activity displaying IC 50 of 50.31 μg/mL approaching that of acarbose (IC 50  = 30.57 μg/mL). All the tested samples showed no significant cytotoxic activity against Caco-2 (human epithelial colorectal adenocarcinoma) cells using the MTT assay (IC 50  > 400 μg/mL). Thus; both new compounds could offer promising natural antihyperglycaemic entities without any marked toxicity, which could be useful in the pharmaceutical industry. [ABSTRACT FROM AUTHOR]

Oxidative stress leads to many disorders as diabetes mellitus and liver diseases. This study evaluates the antihyperglycemic and hepatoprotective activities of Brachychiton rupestris (Malvaceae). The antihyperglycemic activity of the total methanol extract of B. rupestris leaves (BRT) and its ethyl acetate fraction (BRE) was evaluated using streptozotocin induced diabetic rats. The hepatoprotective activity was assessed using carbon-tetrachloride induced hepatotoxicity. Oral administration of 50 mg/kg b.wt (body weight) of BRT and BRE to Streptozotocin -diabetic rats caused a notable decrease in serum glucose by 39.38 and 42.09% with 35.62 and 15.44% increase in serum insulin, respectively, compared with Streptozotocin-diabetic rats. Oral administration of BRT and BRE to carbon-tetrachloride -treated rats (50 mg/kg b.wt) resulted in reduction in serum aspartate transaminase (AST) (28.88 and 27.2%, respectively) and alanine transaminase (ALT) (8 and 13.56%) levels, respectively. They also ameliorated oxidative stress in both models as evidenced from oxidative stress markers. Liquid chromatography coupled with electrospray ionization mass spectrometry (LC-ESI-MS) analysis of the most active fraction (BRE) identified nine compounds including flavonoids and phenolic acids. Molecular modelling of the identified compounds was performed on human pancreatic α -amylase (HPA) and human α -glucosidase (HAG) using Discovery Studio 2.5. Quercetin-3-O-(6″-O- α - l -rhamnopyranosyl)- β -D-glucoside showed the greatest affinity towards both HPA and HAG. Thus, this study provided scientific evidence on the antihyperglycemic and hepatoprotective activities of Brachychiton rupestris . [ABSTRACT FROM AUTHOR]

Pinus roxburghii is highly popular as a potent analgesic and anti-inflammatory agent; however its exact mechanism of action was not fully elucidated. We aimed to interpret the analgesic and antiinflammatory activity of the total ethanol extract of Pinus roxburghii bark (PRE) and its isolated compounds by both in silico molecular modelling and in-vitro cannabinoid and opioid binding activities evaluation for the first time. Comprehensive phytochemical investigation of PRE resulted in the isolation of sixteen compounds that were fully elucidated using ¹H NMR and 13C NMR. Four of which namely 1,3,7-trihydroxyxanthone (1), 2,4,7-trihydroxyxanthone (2), isopimaric acid (9) and 3-methoxy-14-serraten-21-one (10) were first to be isolated from PRE. In silico molecular modelling was done using Accelry's discovery studio 2.5 on the cannabinoid receptor (CB1) and the different opioid receptors (mu, kappa and delta). Results showed that the different isolated constituents exhibited variable degrees of binding with the different examined receptors that undoubtedly explained the observed analgesic and anti-inflammatory activity of PRE. Thus in vitro evaluation of cannabinoid (CB1, CB2) and opioid (l, j, d) binding activities for the isolated compounds was done. PRE and ursolic acid (11) showed a good CB1 receptor binding activity with 66.8 and 48.1% binding, respectively. Isopimaric acid (9) showed good CB2 and mu receptors binding activity estimated by 58.1 and 29.1% binding, respectively. Meanwhile, querectin-3-O-rhamnoside (7) exhibited a moderate j-opioid receptor activity showing 56.0% binding. Thus, PRE could offer a natural analgesic and anti-inflammatory candidate through the synergistic action of all its components. [ABSTRACT FROM AUTHOR]

Background: The Australian plant Eremophila maculata F. Muell (Scrophulariaceae) is cultivated worldwide as an ornamental plant.Purpose: This study was designed to assess the antioxidant and hepatoprotective activities of a methanol extract from E. maculata leaves (EMM) both in vitro and in vivo (rats) experiments. Detailed phytochemical study was done on the extract followed by molecular docking experiments on TNF-α ascertain the efficacy of the isolated compounds.Methods: The antiproliferative activity was evaluated in the human cancer cell lines A-495, PC3 and HepG2 cells using the SRB method. The antioxidant activitywas evaluated in vitro using the DPPH• assay while the hepatoprotective properties were investigated by determining the amelioration of CCl4-induced cytotoxicity and oxidative stress in HepG2 cells. The activity was confirmed in vivo by studying tamoxifen-induced hepatotoxicity in rats. An in-depth phytochemical investigation of a methanol extract was performed using 1D and 2D NMR experiments. In silico molecular modeling studies of the isolated compounds on TNF-α (PDB ID 2AZ5) were carried out using Discovery Studio 2.5 software applying C-Docker protocol.Results: The IC50 values of EMM were >500µg/ml for both PC3 and HepG2 cells indicating its safety. Similar to the standard drug silymarin, EMM could restore AST, ALT values; replenish GSH level, SOD activity and TAC in vitro. The hepatoprotective activity was confirmed in vivo in which the extract (20mg/kg body weight) decreased ALT and AST levels by 45.23 and 45.79%, respectively as compared to the tamoxifen treated groups. Oxidative stress was reduced by lowering of thiobarbituric acid reactive substances by 28.57%. Additionally, hepatocyte inflammation was improved by reducing the pro-inflammatory mediator TNF-α by 54.29%. Phytochemical investigation resulted in the isolation of a rare naturally-occurring lignan glycoside, namely pinoresinol-4-O-[6″-O-(E)-feruloyl]-β-D-glucopyranoside for the first time from the Scrophulariaceae in addition to 12 known compounds.Pinoresinol-4-O-[6''-O-(E)-feruloyl]-β-D-glucopyranoside was the strongest inhibitor of TNF-α as evidenced from its higher fitting scores comparable to lead compound.Conclusions: These findings highlighted for the first time that EMM could be an interesting candidate as a safe, natural liver supplement for relieving of various hepatic disorders and counteracting the effect of many xenobiotics. [ABSTRACT FROM AUTHOR]

Fermentation of the marine-derived fungus Aspergillus falconensis , isolated from sediment collected from the Red Sea, Egypt on solid rice medium containing 3.5% NaCl yielded a new dibenzoxepin derivative (1) and a new natural isocoumarin (2) along with six known compounds (3 – 8). Changes in the metabolic profile of the fungus were induced by replacing NaCl with 3.5% (NH 4) 2 SO 4 that resulted in the accumulation of three further known compounds (9 – 11), which were not detected when the fungus was cultivated in the presence of NaCl. The structures of the new compounds were elucidated by HRESIMS and 1D/2D NMR as well as by comparison with the literature. Molecular docking was conducted for all isolated compounds on crucial enzymes involved in the formation, progression and metastasis of cancer which included human cyclin-dependent kinase 2 (CDK-2), human DNA topoisomerase II (TOP-2) and matrix metalloproteinase 13 (MMP-13). Diorcinol (7), sulochrin (9) and monochlorosulochrin (10) displayed notable stability within the active pocket of CDK-2 with free binding energy (ΔG) equals to −25.72, −25.03 and −25.37 Kcal/mol, respectively whereas sulochrin (9) exerted the highest fitting score within MMP-13 active center (ΔG = −33.83 Kcal/mol). In vitro cytotoxic assessment using MTT assay showed that sulochrin (9) exhibited cytotoxic activity versus L5178Y mouse lymphoma cells with an IC 50 value of 5.1 µM and inhibition of migration of MDA-MB 231 breast cancer cells at a concentration of 70 µM. [ABSTRACT FROM AUTHOR]

• One new stilbene glycoside was isolated from Agonis flexuosa leaves. • 15 known compounds belonging to flavanones, stilbenes and flavonoids were isolated. • (2 S)-Cryptostobin showed promising antimicrobial activity. • All compounds showed certain inhibition to the human histamine receptor in silico. • The new stilbene revealed inhibition to histamine release by monocytes in vitro. This study aimed to explore the phytoconstituents of Agonis flexuosa , F. Myrtaceae and its biological activity. A thorough phytochemical investigation of its leaves led to the isolation of one new stilbene glycoside; (Z)-2,3-dihydroxystilbene-5-O -β -D-glucoside (1) , and fifteen known compounds identified as two stilbenes: (Z)-pinosylvin mono methyl ether (2) and (Z)-pinosylvin-3-O- β -D-glucoside (3); six flavanones: (2 S)-pinostrobin (4) , (2 S)-strobopinin (5) , (2 S)-cryptostobin (6) , (2 S)-pinocembrin (7) , (2 S)-dimethylpinocembrin (8) and (2 S)-dimethylstrobopinin (9) ; four flavonoids: quercetin (10) , kaempferol-7-O- β -D-glucoside (11) , quercetin-3-O- α -D-rhamnoside (12) and quercetin-3-O- β -D-glucoside (13) , α -terpineol (14) , β -sitosterol (15) and gallic acid (16). The structures of the isolated metabolites were elucidated based upon the interpretation of their 1D and 2D NMR (One Dimensional and Two-Dimensional Nuclear Magnetic Resonance), HR-ESI-MS (High Resolution Electrospray Ionization Mass Spectrometry) and optical rotation. All the isolated compounds were evaluated for their antimicrobial activities. Only compound (6) showed a selective activity against P. aeruginosa with IC 50 value of 4.88 µM. In silico virtual screening was done for the isolated compounds on Human histamine H1 receptor (3RZE) downloaded from protein data bank. All the compounds showed certain degree of binding to the protein displaying free binding energies ranging between -11 to -31 kcal/mol. (Z)-2,3-Dihydroxystilbene-5-O -β -D-glucoside (1) showed notable fitting to the active site as evidenced by its free binding energy (∆G) which is computed as -25.09 kcal/mol comparable to diclofenac that displayed (∆G) of -15.00 kcal/mol. In vitro assessment of histamine release inhibitory activity was performed using U937 human monocytes. Compound (1) showed a substantial inhibition to histamine release displaying IC 50 value of 0.16 μM. Image, graphical abstract [ABSTRACT FROM AUTHOR]

Oxidative stress plays a crucial role in the development of several liver diseases. Many natural polyphenols can attenuate oxidative stress and liver injury. In this study, a phytochemical profiling of a methanol extract from leaves of Syzygium samarangense revealed 92 compounds belonging to flavonoids, phenolic acids, condensed tannins, and ellagitannins. The S. samarangense extract exhibited a noticeable antioxidant activity with an EC 50 of 5.80 μg/mL measured by DPPH scavenging capacity assay, 2632 Trolox equivalents, 10 mM Fe 2+ equivalents/mg of samples by TEAC and FRAP assays, respectively. The total phenolic content was 419 mg gallic acid equivalent GAE/g extract. In a cell-based model (HaCaT cells), the extract completely inhibited ROS production induced by UVA, and prevented GSH-depletion and p38 phosphorylation. In addition, the extract exhibited a substantial antioxidant and hepatoprotective activities in CCl 4 -treated rats, with an increase in GSH (reduced glutathione) and SOD (superoxide dismutase) activities by 84.75 and 26.27%, respectively, and a decrease of 19.08, 63.05, 52.21, 37.00, 13.26, and 15.15% in MDA, ALT, AST, TB (total bilirubin), TC (total cholesterol), and TG (total glycerides), respectively. These results were confirmed by histopathological analyses. We believe that Syzygium samarangense is a good candidate for further evaluation as an antioxidant and liver protecting drug. [ABSTRACT FROM AUTHOR]

Ethnopharmacological relevance Araucaria bidwillii Hook., the bunya pine, is an evergreen plant belonging to family Araucariaceae. Traditionally, its leaves and oleoresins have been used as herbal remedies to alleviate pain and inflammation. Based upon the frequent adverse effects accompanying synthetic anti-inflammatory drugs, this study will assess the anti-inflammatory activity of both the total methanol extract and the polyphenolic-rich fraction of A. bidwillii leaves. Materials and methods The anti-inflammatory activity was assessed in vitro using phytohaemagglutinin-stimulated human peripheral blood mononuclear cells (PBMCs). Isolation of the major compounds was conducted using various chromatographic techniques. Molecular modelling studies are performed on tumor necrosis factor-α (TNF-α), cyclooxygenase-II (COX-II) and 5-lipooxygenase (5-LOX). Results Both the total methanol extract of Araucaria bidwillii leaves and its fraction revealed a dose-dependent manner in lowering the levels of IL-1 β , IL-6 and TNF- α with an equivalent activity to that of indomethacin. In addition, the phytochemical investigation of the polyphenolic-rich fraction results in identification of agathisflavone-4′,7''-dimethyl ether ( 1 ), 7- O -methyl-6-hydroxyapigenin ( 2 ) and 4′,4′-di- O -methylamentoflavone ( 3 ) as the main components. In silico molecular modelling showed that agathisflavone-4′,7''-dimethyl ether ( 1 ) exhibited the fittest binding in TNF- α active sites , while 7- O -methyl-6-hydroxyapigenin ( 2 ) showed the highest inhibition in COX-II whereas 4′,4′-di- O -methylamentoflavone ( 3 ) is the most potent 5-LOX inhibitor. Conclusion Thus, the leaves of Araucaria bidwillii could afford a potent anti-inflammatory agent that effectively ameliorates inflammation and its related hazards. This in turn consolidates the fact of using the leaves of Araucaria bidwillii to sooth inflammation in traditional medicine. [ABSTRACT FROM AUTHOR]