In vitro and in silico perspectives on biological and phytochemical profile of three halophyte species-A source of innovative phytopharmaceuticals from nature.

BACKGROUND: Halophytes are considered as valuable sources of traditional drugs in different countries. PURPOSE: The present study aimed to evaluate biological and chemical fingerprints of three halophytes (Arthrocnemum macrostachyum (Moric.) C, Koch, Halimione portulacoides (L.) Aellen and Salicornia europaea L.). MATERIALS AND METHODS: The antioxidant and enzymatic inhibitory potential (acetylcholinesterase, butyrylcholinesterase, α-amylase, α-glucosidase, and tyrosinase) were assessed. The total phenolic, flavonoid contents, and the chemical profiles were appraised using the ultra-high performance liquid chromatography-electrospray ionization-tandem mass spectrometry. Molecular docking was conducted to provide additional insights of molecular interactions of the enzymes/phytochemicals. RESULTS: Ethyl acetate extract was the most efficient extract, with A. macrostachyum being the most potent towards DPPH and ABTS radicals and phosphomolybdenum assay. Ethyl acetate extract of A. macrostachyum was also the best reducing agent (CUPRAC and FRAP assays). Methanol and ethyl acetate extract of A. macrostachyum, H. portulacoides, and S. europaea showed significant enzyme inhibition potential. Ethyl acetate extract of A. macrostachyum showed the highest total phenolic (29.54 ±â€¯0.78 mgGAEs/g extract) while the ethyl acetate extract of S. europaea was more abundant in flavonoids (18.26 ±â€¯0.11 mgREs/g extract). Phytochemical profiling allowed the identification of several components in the methanolic extracts (16 in A. macrostachyum, 14 in H. portulacoides, and 11 in S. europaea), with quinic acid, p-coumaric acid, and rhamnetin being most abundant. Docking studies revealed that the above compounds showed scores for the enzymes tested. CONCLUSION: The three halophytes studies could be considered as potential sources of biologically-active compounds for novel phytopharmaceuticals development.

Essential oils from tropical medicinal herbs and food plants inhibit biofilm formation in vitro and are non-cytotoxic to human cells.

The biofilm inhibition and eradication potential of essential oils (EOs) extracted from six tropical medicinal herbs and food plants [Psiadia arguta (PA), Psiadia terebinthina (PT), Citrus grandis (CGp), Citrus hystrix (CH), Citrus reticulata (CR), and Cinnamomum zeylanicum (CZ)] were assessed. The mechanism of inhibition was studied via quenching of efflux pump. Cytotoxicity was evaluated using Artemia salina assay and cell lines [human cervix carcinoma (HeLa), human lung fibroblast (MRC-5), and murine melanoma (B16F10)]. EOs of CH, CR, PA, and PT were found to be prospective antibiofilm agents (IC50 of 0.29, 0.59, 0.22, and 0.11 mg/mL against Staphylococcus epidermidis; 0.39, 0.54, 0.09, and 0.13 mg/mL against Escherichia coli; and 0.54, 0.90, 0.44 and 0.51 mg/mL against Candida albicans for CH, CR, PA, and PT, respectively). The simultaneous actions of the EOs and efflux pump inhibitor impacted on the resistance of the biofilms. LC50 of the EOs ranged from 223 to 583 µg/mL against A. salina. The non-cytotoxic concentration of the EOs varied from 200 to 300 µg/mL (HeLa and MRC-5), and 150-200 µg/mL (B16F10). EOs from these tropical medicinal herbs and food plants are useful sources of new antimicrobials with low cytotoxicity which could open new horizons in the drug development process.

Selected essential oils inhibit key physiological enzymes and possess intracellular and extracellular antimelanogenic properties in vitro.

Essential oils (EOs) extracted from six medicinal herbs and food plants [Cinnamomum zeylanicum (CZ), Psiadia arguta (PA), Psiadia terebinthina (PT), Citrus grandis (CGp), Citrus hystrix (CH), and Citrus reticulata (CR)] were studied for any inhibitory potential against key physiological enzymes involved in diabetes (α-glucosidase), skin aging (collagenase and elastase), and neurodegenerative disorders (acetylcholinesterase). Kinetic studies of the active EOs on the aforementioned enzymes were determined using Lineweaver-Burk plots. The intracellular and extracellular antimelanogenic potential of the EOs were evaluated on B16F10 mouse melanocytes. CH and CR were found to significantly inhibit (2.476 ± 0.13 µg/mL and 3.636 ± 0.10 µg/mL, respectively) acetylcholinesterase, compared with galantamine (3.989 ± 0.16 µg/mL). CH inhibited collagenase (50% inhibitory concentration 28.71 ± 0.16 µg/mL) compared with the control (24.45 ± 0.19 µg/mL). The percentage inhibition in the elastase assay of CH was 63.21% compared to the positive control (75.09%). In addition, CH, CR, CGp, CZ, and PT were found to significantly inhibit α-glucosidase (276.70 ± 0.73 µg/mL, 169.90 ± 0.58 µg/mL, 240.60 ± 6.50 µg/mL, 64.52 ± 0.69 µg/mL, and 313.0 ± 5.0 µg/mL, respectively), compared to acarbose (448.80 ± 0.81 µg/mL). Active EOs showed both uncompetitive and competitive types of inhibition. The EOs also inhibited intracellular (50% inhibitory concentration 15.92 ± 1.06 µg/mL, 23.75 ± 4.47 µg/mL, and 28.99 ± 5.70 µg/mL for CH, CR, and CGp, respectively) and extracellular (< 15.625 µg/mL for CH, CR, CGp, and PT) melanin production when tested against B16F10 mouse melanocytes. Results from the present study tend to show that EOs extracted from these medicinal plants can inhibit key enzymes and may be potential candidates for cosmetic and pharmaceutical industries.

Phenolic components and assessment of biological properties of Tchihatchewia isatidea Boiss. extracts: Docking and functional approaches for designing novel products.

The potentiality of bioactive phenolic compounds may result in plant extracts having multiple biological activities. The aim of this study was to investigate into the biological activities of the methanolic, ethyl acetate, and water extracts of Tchihatchewia isatidea Boiss, an endemic medicinal plant of Turkey. The phenolic compositions of the extracts were confirmed using RP-HPLC. Extracts were screened for their potential antioxidant through a panoply of assays; their anti-diabetic potential, and plausible inhibitory activity against tyrosinase and acetylcholinesterase. Molecular modelling methods were also used to assess the docking properties of phenolic compounds on tyrosinase. The major and most abundant compounds were rosmarinic acid (570 ± 14 µg/g extract in the methanolic extract), ferrulic acid (336 ± 6 µg/g extract in the methanolic extract), (+)-catechin (340 ± 4 µg/g extract in the water extract), apigenin (182 ± 4 µg/g extract in the methanolic extract), and epicatechin (188 ± 12 µg/g extract in the water extract). Radical scavenging, reducing capacity, and metal chelating activities were detected in the extracts, with preponderance activity observed in the methanolic extract. In conclusion, the potential clinical applications observed during this study may provide new insights into the molecular aspect particularly for neuroprotective and anti-diabetic mechanisms involving oxidative stress.

Combining in vitro, in vivo and in silico approaches to evaluate nutraceutical potentials and chemical fingerprints of Moltkia aurea and Moltkia coerulea.

Methanolic extracts of Moltkia aurea Boiss. (MA) and Moltkia coerulea (Willd.) Lehm. (MC) were investigated for their antioxidant capacity and enzymatic inhibitory potential against acetylcholinesterase, butyrylcholinesterase, α-amylase, α-glucosidase, and tyrosinase in vitro. MA and MC were also explored for their antimicrobial effect, as well as for their possible genotoxic/antigenotoxic potential on Drosophila melanogaster in vivo. The total bioactive components (phenolic (TPC) and flavonoid contents (TFC)) were determined and liquid chromatography-tandem mass spectrometry (LC-MS/MS) metabolite profiling of MA and MC appraised. The plausible docking poses of bioactive compounds to key enzymes were further studied using molecular modelling approach. MA proved to be a better antioxidant with higher TPC and TFC compared to MC. Protocatechuic acid, rutin, hesperidin and malic acid were the most abundant in these extracts. Both MA and MC exhibited antigenotoxic potential with a %R in DNA damage of 60.90 and 53.14% respectively. The docking studies revealed that rutin, hesperidin, and rosmarinic acid have the best scores for all the enzymes tested. MA and MC were found to be rich in phytochemicals with potent antioxidant, antimicrobial, and antigenotoxic activities that can be further studied for the management of neurodegenerative complications, diabetes, and hyperpigmentation.

Euphorbia denticulata Lam.: A promising source of phyto-pharmaceuticals for the development of novel functional formulations.

In this study, Methanolic extracts of Euphorbia denticulata parts (flowers, leaf, stem, and mix of aerial parts) were assessed for a panoply of bioactivities. Inhibitory potential against key enzymes involved in diabetes (α-glucosidase and α-amylase), obesity (pancreatic lipase), neurodegenerative diseases (cholinesterases), and hyperpigmentation (tyrosinase) was evaluated. The antioxidant and antibacterial properties were also assessed. The total phenolic, flavonoid, and phytochemical profile were established using HPLC/DAD and molecular modelling studies on specific target compounds were performed in silico. The flower extract was found to be rich in phenolics and flavonoids, (60.11±1.40mgGAE/g and 42.04±0.16mgRE/g respectively), which tend to correlate with the high radical scavenging activity of this extract (120.34±3.33mgTE/g and 165.42±2.16mgTE/g for DPPH and ABTS respectively). Catechin, epicatechin, gallic acid, p-OH-Benzoic acid, rosmarinic acid, and epigallocatechin gallate, found in significant abundance in the extracts were assessed using molecular modelling with the aim to study their docking properties on a set of six enzymes used in this study. The extracts were moderately effective with MIC values ranging between 1.56 to 6.25mg/ml, but potent growth inhibitors of MRSA strains. Results amassed herein can be used as a stimulus for further studies geared towards the development of novel phyto-pharmaceuticals.