Kaempferide triggers apoptosis and paraptosis in pancreatic tumor cells by modulating the ROS production, SHP-1 expression, and the STAT3 pathway.

Pancreatic cancer is one of the deadliest diseases with a poor prognosis and a five-survival rate. The STAT3 pathway is hyperactivated which contributes to the sustained proliferative signals in pancreatic cancer cells. We have isolated kaempferide (KF), an O-methylated flavonol, from the green propolis of Mimosa tenuiflora and examined its effect on two forms of cell death namely, apoptosis and paraptosis. KF significantly increased the cleavage of caspase-3 and PARP. It also downmodulated the expression of Alix (an intracellular inhibitor of paraptosis) and increased the expression of CHOP and ATF4 (transcription factors that promote paraptosis) indicating that KF promotes apoptosis as well as paraptosis. KF also increased intracellular reactive oxygen species (ROS) suggesting the perturbance of the redox state. N-acetylcysteine reverted the apoptosis- and paraptosis-inducing effects of KF. Some ROS inducers are known to suppress the STAT3 pathway and investigation revealed that KF downmodulates STAT3 and its upstream kinases (JAK1, JAK2, and Src). Additionally, KF also elevated the expression of SHP-1, a tyrosine phosphatase which is involved in the negative modulation of the STAT3 pathway. Knockdown of SHP-1 prevented KF-driven STAT3 inhibition. Altogether, KF has been identified as a promoter of apoptosis and paraptosis in pancreatic cancer cells through the elevation of ROS generation and SHP-1 expression.

Scutellarein: a review of chemistry and pharmacology.

OBJECTIVES: To get a better understanding of the scientific values of flavone scutellarein (SCT), and to encourage its applications in human health, the current review systematically summarizes the natural observation, biosynthesis, synthesis, pharmacology, pharmacokinetics, and recent synthetic advances. KEY FINDINGS: Scientific sources to search for references included Google Scholar, Scopus, Web of Science, PubMed, Sci-Finder, and journal websites. The references have been collected from the 1970s to the present. "Scutellarein" is the most meaningful keyword to search for publications, in which it was used alone or in combination with other keywords. SUMMARYS: SCT as a hydrophobic flavonoid can be found in various medicinal plants of the families Lamiaceae, Compositae, and Verbenaceae. Flavone SCT has drawn much interest due to its wide pharmacological effects, such as anticancer, anti-inflammation, antioxidant, antiobesity, and vasorelaxant. The SCT treatments also possessed a lot of positive results in the neuron, liver, heart, lung, kidney, bone, and skin protective experiments, and human sperm function enhancement. Its underlying mechanism of action may relate to the apoptotic program and cytokine inhibition by regulating a panel of the signaling pathway, e.g., NF-κB (nuclear factor kappa B)/MAPK (mitogen-activated protein kinase), IκBa (nuclear factor of kappa light polypeptide gene enhancer in B cells inhibitors alpha)/NF-κB, TRAF2 (tumor necrosis factor receptor-associated factor 2)/NF-κB, and PTEN (phosphatase and tension homologue deleted on chromosome 10)/Akt (protein kinase B)/NF-κB. In addition, the metabolic actions and synthetic derivative promotions of SCT were mostly based on the substitution of hydroxyl groups. Collectively, the studies that aim to highlight the role of scutellarein in preclinical and clinical treatments are urgently needed. More and more experiments to improve its bioavailability are expected.

Vasorelaxant Activity of (2S)-Sakuranetin and Other Flavonoids Isolated from the Green Propolis of the Caatinga Mimosa tenuiflora.

Some in vitro and in vivo evidence is consistent with the cardiovascular beneficial activity of propolis. As the single actors responsible for this effect have never been identified, an in-depth investigation of flavonoids isolated from the green propolis of the Caatinga Mimosa tenuiflora was performed and their mechanism of action was described. A comprehensive electrophysiology, functional, and molecular docking approach was applied. Most flavanones and flavones were effective CaV1.2 channel blockers with a potency order of (2S)-sakuranetin > eriodictyol-7,3'-methyl ether > quercetin 3-methyl ether > 5,4'-dihydroxy-6,7-dimethoxyflavanone > santin > axillarin > penduletin > kumatakenin, ermanin and viscosine being weak or modest stimulators. Except for eriodictyol 5-O-methyl ether, all the flavonoids were also effective spasmolytic agents of vascular rings, kumatakenin and viscosine also showing an endothelium-dependent activity. (2S)-Sakuranetin also stimulated KCa1.1 channels both in single myocytes and vascular rings. In silico analysis provided interesting insights into the mode of action of (2S)-sakuranetin within both CaV1.2 and KCa1.1 channels. The green propolis of the Caatinga Mimosa tenuiflora is a valuable source of multi-target vasoactive flavonoids: this evidence reinforces its nutraceutical value in the cardiovascular disease prevention arena.

Health benefits of fraxetin: From chemistry to medicine.

Fraxetin is a bioactive molecule present in various natural plants, especially Cortex Fraxini. Evidenced outcomes in phytochemical and biological analyses for this agent are now available in the literature, but an insightful review is yet unknown. The goal of the current research is to offer a panoramic illustration of natural observation, biosynthesis, synthesis, pharmacology, and pharmacokinetics for fraxetin. Esculetin and ferulic acid acted as precursors in the enzymatic biosynthetic route, whereas fraxetin could be easily synthesized from simple phenols. A great deal of interest was obtained in using this molecule for pharmacological targets. Herein, its pharmacological value included anticancer, antioxidative, anti-inflammatory, antidiabetic, antiobesity, and antimicrobial activities, as well as the protection of the liver, neurons, heart, bone, lung, kidney, and others. Anticancer activity may involve the inhibition of proliferation, invasion, and migration, together with apoptotic induction. Health benefits from this molecule were deduced from its ability to suppress cytokines and protect the immune syndrome. Various signaling pathways, such as Janus kinase 2 (JAK2)/signal transducer and activator of transcription 3 (STAT3), phosphoinositide 3 kinase (PI3K)/protein kinase B (Akt), nuclear factor kappa B (NF-κB)/NLRP3, Akt/AMPK, have been proposed for in vitro and in vivo mechanisms of action. Fraxetin is highly distributed to rat plasma and several organs. However, more pharmacokinetic studies to improve its bioavailability are needed since its solubility in water is still limited.

3,3'-O-dimethylquercetin: A bi-functional vasodilator isolated from green propolis of the Caatinga Mimosa tenuiflora.

In the search for novel, bi-functional compounds acting as CaV1.2 channel blockers and K+ channel stimulators, which represent an effective therapy for hypertension, 3,3'-O-dimethylquercetin was isolated for the first time from Brazilian Caatinga green propolis. Its effects were investigated through electrophysiological, functional, and computational approaches. In rat tail artery myocytes, 3,3'-O-dimethylquercetin blocked Ba2+ currents through CaV1.2 channels (IBa1.2) in a concentration-dependent manner, with the inhibition being reversed upon washout. The compound also shifted the voltage dependence of the steady-state inactivation curve to more negative potentials without affecting the slope of the inactivation and activation curves. Furthermore, the flavonoid stimulated KCa1.1 channel currents (IKCa1.1). In silico simulations provided additional evidence for the binding of 3,3'-O-dimethylquercetin to KCa1.1 and CaV1.2 channels and elucidated its mechanism of action. In depolarized rat tail artery rings, the flavonoid induced a concentration-dependent relaxation. Moreover, in rat aorta rings its antispasmodic effect was inversely related to the transmembrane K+ gradient. In conclusion, 3,3'-O-dimethylquercetin demonstrates effective in vitro vasodilatory properties, encouraging the exploration of its scaffold to develop novel derivatives for potential use in the treatment of hypertension.

Camellia annamensis (Theaceae): phytochemical analysis, cytotoxic, antioxidative, and antimicrobial activities.

Cytotoxic, antioxidative, and antimicrobial activities of Camellia annamensis, and its chemical compositions were first provided in the current study. Phenolic contents in the methanol extracts of its leaves and flowers were 222.73 ± 0.09 and 64.44 ± 0.08 mg GAE/g extract, whereas flavonoid contents in these parts were 108.80 ± 0.28 and 131.26 ± 0.39 mg rutin/g extract, respectively. By using HPLC-DAD analysis, gallic acid (43.72 ± 0.09 - 81.89 ± 1.83 mg/g) and (-)-epigallocatechin gallate (67.31 ± 1.26 - 70.68 ± 7.82 mg/g) were identified as the major compounds. C. annamensis leaf and flower extracts were moderately cytotoxic against A549, HT-29, SK-Mel-2, MCF-7, HepG2, HeLa, and MKN-7. Particularly, they are better than the standards trolox (IC50 7.57 ± 0.23 µg/mL) in lipid peroxidation inhibitory evaluation, and streptomycin (IC50/MIC = 45.34-50.34/128-256 µg/mL) in antimicrobial assay against the Gram-positive bacteria Enterococcus faecalis ATCC299212, Staphylococcus aureus ATCC25923, and the Gram-negative bacterium Salmonella enterica ATCC13076.

Identification of new anti-mycobacterial agents based on quinoline-isatin hybrids targeting enoyl acyl carrier protein reductase (InhA).

Tuberculosis (TB) is a global issue that poses a significant economic burden as a result of the ongoing emergence of drug-resistant strains. The urgent requirement for the development of novel antitubercular drugs can be addressed by targeting specific enzymes. One such enzyme, Mycobacterium tuberculosis (MTB) enoyl-acyl carrier protein (enoyl-ACP) reductase (InhA), plays a crucial role in the survival of the MTB bacterium. In this research study, a series of hybrid compounds combining quinolone and isatin were synthesized and assessed for their effectiveness against MTB, as well as their ability to inhibit the activity of the InhA enzyme in this bacterium. Among the compounds tested, 7a and 5g exhibited the most potent inhibitory activity against MTB, with minimum inhibitory concentration (MIC) values of 55 and 62.5 µg/mL, respectively. These compounds were further evaluated for their inhibitory effects on InhA and demonstrated significant activity compared to the reference drug Isoniazid (INH), with IC50 values of 0.35 ± 0.01 and 1.56 ± 0.06 µM, respectively. Molecular docking studies investigated the interactions between compounds 7a and 5g and the target enzyme, revealing hydrophobic contacts with important amino acid residues in the active site. To further confirm the stability of the complexes formed by 5g and 7a with the target enzyme, molecular dynamic simulations were employed, which demonstrated that both compounds 7a and 5g undergo minor structural changes and remain nearly stable throughout the simulated process, as assessed through RMSD, RMSF, and Rg values.

The Mushroom Albatrellus confluens: A Minireview on Phytochemistry, Biosynthesis, Synthesis and Pharmacological Activities.

BACKGROUND: Albatrellus confluens is one of the representative species in the Polyporaceae family. Its major mero terpenoid grifolin and related compounds have the potential for drug applications. OBJECTIVE: The current study aims to briefly provide an insightful view of the phytochemistry, biosynthesis, synthesis, and pharmacology of A. confluens metabolites. METHODS: Data collection was performed using electronic resources, e.g., Google Scholar, PubMed, and Sci-Finder from the 1990s to the present, while Albatrellus confluens is the most meaningful keyword in the search for publications. The Latin name Albatrellus confluens (Alb. & Schwein.) Kotl. & Pouzar is in accordance with the name listing on www.mycobank.org. RESULTS: By chromatography column procedures, it indicated that A. confluens species was associated with the presence of 57 secondary metabolites, in which nitrogenous compounds, meroterpenoids, polyene pyrones, and polyesters can be seen as the main phytochemical classes. L-isoleucine was the parent molecule in biosynthetic and synthetic steps of A. confluens nitrogenous compounds. Numerous experiments revealed that A. confluens isolated compounds have a variety of pharmacological activities, such as anticancer, anti-inflammatory, vasorelaxant, and neuroprotective and skin whitening activities. Some isolates become potential cancer inhibitors. Grifolin induced apoptosis and promoted cell cycle arrest in A2780 ovarian cancer cells via the inactivation of the ERK1/2/Akt signaling pathway. Grifolic acid caused osteosarcoma cancer cell deaths by inhibiting NADH generation and ATP production without obvious toxicity. Neoalbaconol caused apoptosis and necroptosis in mice bearing nasopharyngeal C666-1 cancer cells via PDK1-PI3K/Akt signaling inhibition. CONCLUSION: The continuation of chromatographic separation and biomedical research is expected. Modern biological assays for explaining the pharmacological values of A. confluens constituents are warranted. Toxicological and pharmacokinetic assessments are urgently needed.

Essential Oils of Five Syzygium Species Growing Wild in Vietnam: Chemical Compositions and Antimicrobial and Mosquito Larvicidal Potentials.

The essential oils of five Vietnamese Syzygium species (Syzygium levinei, S. acuminatissimum, S. vestitum, S. cumini, and S. buxifolium) were first hydro-distilled and analyzed using GC-FID/MS (gas chromatography-flame ionization detection/mass spectrometry). Monoterpene hydrocarbons, sesquiterpene hydrocarbons, and oxygenated sesquiterpenoids were the main chemical classes in these oils. All these essential oils showed good-excellent antimicrobial activities against Gram-positive bacteria Enterococcus faecalis, Staphylococcus aureus, and Bacillus cereus, and the yeast Candida albicans. S. levinei leaf essential oil, rich in bicyclogermacrene (25.3%), (E)-ß-elemene (12.2%), (E)-caryophyllene (8.2%), and ß-selinene (7.4%), as well as S. acuminatissimum fruit essential oil containing (E)-caryophyllene (14.2%), α-pinene (12.1%), caryophyllene oxide (10.9%), ß-selinene (10.8%), α-selinene (8.0%), and α-humulene (5.7%), established the same MIC value of 8 µg/mL against E. faecalis and B. cereus, which were much better than the positive control streptomycin (MIC 128-256 µg/mL). The studied essential oils showed the potential to defend against mosquitoes since they caused the 24 and 48 h LC50 values of less than 50 µg/mL against the growth of Culex quinquefasciatus and Aedes aegypti larvae. Especially, S. buxifolium leaf essential oil strongly inhibited Ae. aegypti larvae with 24 and 48 h LC50 values of 6.73 and 6.73 µg/mL, respectively, and 24 and 48 h LC90 values of 13.37 and 10.83 µg/mL, respectively. These findings imply that Vietnamese Syzygium essential oils might have potential for use as supplemental antibacterial agents or as "green" alternatives for the control of mosquitoes.

The genus Cratoxylum: traditional use, phytochemistry and pharmacology.

OBJECTIVES: The genus Cratoxylum contained medicinal herbs, which are widely distributed in South-East Asia and China. Plants of this genus were consumed as a vegetable side dish, a spice, an ingredient in soup, or a substitute for tea, as well as they are traditionally appropriate for various diseases such as fever, cough, flu, diarrhoea, etc. The most aims of the current review are to highlight the ultimate information about the traditional use, phytochemistry and pharmacology of Cratoxylum medicinal plants. KEY FINDINGS: The relevant literature data of Cratoxylum species have been gathered from Google Scholar, Sci-Finder, Web of Science, Science Direct and various journal websites. The most meaningful keyword 'Cratoxylum' was used in combination or alone in the search for references. SUMMARY: More than 150 reports have been retrieved from the search, completely written in English. Most of them are phytochemical and pharmacological studies, which determined the isolations of 277 metabolites. Xanthone derivatives (205 compounds, 74%) are essential, followed by other chemical classes such as flavonoids, anthraquinones, triterpenoids, benzophenones, phytosterols and tocopherols. Cratoxylum constituents possessed complexed pharmacological activities, including antioxidant, antibacterial, anti-inflammatory, antidiabetic, antihypertensive, antimalarial, antiviral, antiamoebic, protein tyrosine phosphatase 1B inhibitory, neuroprotective, hepatoprotective and gastroprotective activities, especially in terms of anticancer.

Oxymatrine: A current overview of its health benefits.

Oxymatrine (OMT), was identified as a quinolizidine alkaloid, which was one of the major matrine-type alkaloids extracted from Sophora medicinal plants. Growing studies revealed that OMT has a wide range of beneficial pharmacological values, consisting of anticancer, antidiabetic, antivirus, and antiinflammtion, as well as the protective activities to the brain, liver, heart, lung, vascular, gastrointestinal, bone, kidney, and skin organs. Various in vitro and in vivo models of pharmacological actions were recorded in regard to the usage of alkaloidal OMT. Mechanisms underlying anticancer activity of this compound may have been possibly involved anti-proliferation, invasion, migration, angiogenesis, epithelial-mesenchymal transition of cells, autophagy, especially apoptotic cell deaths. OMT could reduce hyperglycemia and hyperlipemia in a high-fat diet and streptozotocin-stimulated diabetic mice by improving insulin secretion and sensitivity. OMT suppressed gastric ulcer via gastric inflammatory and oxidative inhibitions, and pro-apoptotic actions. It turns out that OMT is relatively safe for cell and animal experiments. In this study, we offer a systematic review of natural occurrence, pharmacological potentials, possible mechanisms of action, pharmacokinetics, and bioavailability. Clinical research with OMT is needed to extensively elucidate its health potential benefits.

Icaritin: A phytomolecule with enormous pharmacological values.

Pharmacological studies on flavonoids have always drawn much interest for many years. Icaritin (ICT), a representative flavone containing an 8-prenyl group, is a principal compound detected in medicinal plants of the genus Epimedum, the family Berberidaceae. Experimental results in the phytochemistry and pharmacology of this molecule are abundant now, but a deep overview has not been carried out. The goal of this review is to provide an insight into the natural observation, biosynthesis, biotransformation, synthesis, pharmacology, and pharmacokinetics of prenyl flavone ICT. The relevant data on ICT was collected from bibliographic sources, like Google Scholar, Web of Science, Sci-Finder, and various published journals. "Icaritin" alone or in combination is the main keyword to seek for references, and references have been updated till now. ICT is among the characteristic phytomolecules of Epimedum plants. Bacteria monitored its biosynthesis and biotransformation, while this agent was rapidly synthesized from phloroglucinol by microwave-assistance Claisen rearrangement. ICT is a potential agent in numerous in vitro and in vivo pharmacological records, which demonstrated its role in cancer treatments via apoptotic-related mechanisms. It also brings in various health benefits since it reduced harmful effects on the liver, lung, heart, bone, blood, and skin, and improved immune responses. Pharmacokinetic outcomes indicated that its metabolic pathway involved hydration, hydroxylation, dehydrogenation, glycosylation, and glucuronidation. Molecule mechanisms of action at a cellular level are predominant, but clinical studies are expected to get more. Structure-activity relationship records seem insufficient, and the studies on nano-combined approaches to improve its soluble property in living bodied medium are needed.

Genus Knema: An Extensive Review on Traditional Uses, Phytochemistry, and Pharmacology.

BACKGROUND: Knema (the Myristicaceae family) is a large genus of small-medium trees found in Southeast Asia, Africa, and Australia. Historical records dealt with the uses of Knema species as medicinal plants against various diseases, especially cancer remedies, or their application as tonic agents in Asian communities Objective: The aim of this review is to provide the most current knowledge on the traditional uses, chemical profiles, as well as pharmacological values of Knema plants. METHODS: Through electronic search, the literature materials on Knema plants were acquired from scholarly journals, books, and internationally recognized scientific databases, such as PubMed, ScienceDirect, Sci-Finder, Web of Science, and Google Scholar. All full-text articles and abstracts on Knema were screened. Genus Knema, traditional use, phytochemistry, and pharmacology were the first selective keywords to search for references. RESULTS: Since the 1970s, more than 185 metabolites have been isolated from Knema plants and structurally elucidated. Among them, phenolic lipids, flavonoids, and lignans are the principal metabolites. Crude extracts, fractions, and isolated compounds of Knema species possess a wide variety of pharmacological properties, such as antioxidative, antidiabetic, antimicrobial, antiinflammatory, antimalarial, neuroprotective, and hepatoprotective activities, but cytotoxicity is the most striking feature. Phenolic lipids containing long alkyl side chains and polar hydroxyl or acyl groups are found as the most active molecules in cytotoxic assays. CONCLUSION: Further studies on phytochemistry and pharmacological activities, toxicological assessments, pharmacological mechanisms, and pharmacokinetics are urgently needed.

Skimmianine: Natural Occurrence, Biosynthesis, Synthesis, Pharmacology and Pharmacokinetics.

BACKGROUND: For years, plant materials collected from members of the family Rutaceae have been the subject of various phytochemical and pharmacological studies. In such works, skimmianine (SM) is a secondary metabolite type furoquinoline alkaloid, which can be seen as a major component available in medicinal plants of the family Rutaceae. Although there have been numerous phytochemical and biological experiments, a brief review of this compound is insufficient. OBJECTIVE: The current review with the most aim is to provide information on its natural occurrence, structural features, biosynthesis, synthesis, pharmacological values, and pharmacokinetic action. METHODS: The list of references was gathered from the following databases: Google Scholar, Pub- Med, Scopus, Web of Science, Science Direct, and Medline. In the meantime, "skimmianine" either alone, or combined "phytochemistry", "biosynthesis", "synthesis", "pharmacology", and "pharmacokinetics" was taken into consideration, to search for references. RESULTS: Accumulative evidence indicated that many Rutaceae plants, such as genus Zanthoxylum, were associated with the presence of alkaloid SM. Biosynthesis of organic hetero-tricyclic compound SM started from anthranilic acid, whereas its short synthetic steps were initially derived from 2,4,7,8- tetramethoxyquinoline. SM established a great role in pharmaceutical aspect since it possessed antimicrobial, antiparasitic, antiinsect, antiplatelet, antidiabetic, antiviral, cholinesterase inhibitory, analgesic, cardiovascular, and estrogenic activities, especially cytotoxicity and anti-inflammatory activity. Pharmacokinetic progress of SM in rats mostly involved the changes of double bond C2-C3 and methoxy groups. CONCLUSION: Pharmacological properties justify its usage in drug development. However, some aspects, such as the extensive mechanism of action, structure-activity relationship, toxicological, and clinical studies, demand more research.

Wedelolactone: A molecule of interests.

BACKGROUND: The search for bioactive molecules from medicinal plants of the family Asteraceae has been one of the targets in various phytochemical and pharmacological investigations for many years. According to these studies, wedelolactone, a coumestan of the secondary metabolite type, is a key compound found in several Eclipta and Wedelia herbal plants. To date, numerous experimental studies with intention of highlighting its role in drug development programs were carried out, but an extensive review is not sufficient. OBJECTIVE: The current review aims to fill the gaps in extensive knowledge about phytochemistry, synthesis, pharmacology, and pharmacokinetics of coumestan wedelolactone. MATERIALS AND METHODS: The databases Google Scholar, Scopus, PubMed, Web of Science, Science Direct, Medline, and CNKI were used to compile the list of references. In order to find references, "wedelolactone" was considered separately or in combination with "phytochemistry", "synthesis", "pharmacology", and "pharmacokinetics." Since the 1950s, >100 publications have been collected and reviewed. RESULTS: Wedelolactone is likely to be a characteristic metabolite of two genera Eclipta and Wedelia, the family Asteraceae, while it could be synthetically derived from mono-phenol derivatives, through Sonogashira and cross-coupling reactions. Numerous biomedical investigations on wedelolactone revealed that its pharmacological values included anticancer, antiinflammatory, antidiabetic, antiobesity, antimyotoxicity, antibacterial, antioxidant, antivirus, anti-aging, cardiovascular, serine protease inhibition, especially its protective health benefits to living organs such as liver, kidney, lung, neuron, eye, bone, and tooth. The combination of wedelolactone and potential agents is a preferential approach to improve its biomedical values. Pharmacokinetic study exhibited that wedelolactone was metabolized in rat plasma due to hydrolysis, open-ring lactone, methylation, demethylation, and glucuronidation. CONCLUSIONS: Wedelolactone is a promising agent with the great pharmacological values. Molecular mechanisms of the actions of this compound at both in vitro and in vivo levels are now available. However, reports highlighting biosynthesis and structure-activity relationship are still not adequate. Moreover, chemo-preventive records utilizing nano-technological approaches to improve its bioavailability are needed since the solubility in the living body environment is still limited.

Chemical Profile and Biological Activities of Fungal Strains Isolated from Piper nigrum Roots: Experimental and Computational Approaches.

The current report describes the chemical investigation and biological activity of extracts produced by three fungal strains Fusarium oxysporum, Penicillium simplicissimum, and Fusarium proliferatum isolated from the roots of Piper nigrum L. growing in Vietnam. These fungi were namely determined by morphological and DNA analyses. GC/MS identification revealed that the EtOAc extracts of these fungi were associated with the presence of saturated and unsaturated fatty acids. These EtOAc extracts showed cytotoxicity towards cancer cell lines HepG2, inhibited various microbacterial organisms, especially fungus Aspergillus niger and yeast Candida albicans (the MIC values of 50-100 µg/mL). In α-glucosidase inhibitory assay, they induced the IC50 values of 1.00-2.53 µg/mL were better than positive control acarbose (169.80 µg/mL). The EtOAc extract of F. oxysporum also showed strong anti-inflammatory activity against NO production and PGE-2 level. Four major compounds linoleic acid (37.346 %), oleic acid (27.520 %), palmitic acid (25.547 %), and stearic acid (7.030 %) from the EtOAc extract of F. oxysporum were selective in molecular docking study, by which linoleic and oleic acids showed higher binding affinity towards α-glucosidase than palmitic and stearic acids. In subsequent docking assay with inducible nitric oxide synthase (iNOS), palmitic acid, oleic acid and linoleic acid could be moderate inhibitors.

Garcimckeans A-C, three new xanthones from the stems of Garcinia mckeaniana, and their cytotoxic activity.

Three new xanthones, garcimckeans A-C (1-3) were isolated from the methanol extract of the stems of Garcinia mckeaniana (Clusiaceae). Their structures were established by extensive spectroscopic analysis (HR-ESI-MS and 1 D and 2 D NMR) and by comparison of the spectral data with those reported in the literature. Compounds 1-3 displayed weak cytotoxic activity toward KB, Lu, HepG2, and MCF7 cell lines using the MTT assay with IC50 values ranging from 71.03 ± 2.93 to 90.40 ± 7.13 µM compared to that of the positive control compound, ellipticine (IC50: 1.22 ± 0.10 ∼ 2.44 ± 0.2 µM).

The Medicinal Plant Agrimonia pilosa Ledeb.: Botanical Description, Traditional use, Phytochemistry and Pharmacology.

BACKGROUND: Hairy agrimony (Agrimonia pilosa Ledeb.) is a traditional medicinal plant widely used in Eastern Europe and Eastern Asia. The plant is harvested as it comes into flower and could be dried for later usage. Hairy agrimony has been traditionally introduced to treat sore throat, abdominal pain, headache, mucoid dysentery, bloody and white discharge, parasites, and eczema. OBJECTIVE: Since the 1950s, various experimental reports relating to phytochemical and pharmacological aspects have been observed, but an overview is now not available. The current paper emphasizes on in-depth information about the botanical description, traditional use, phytochemistry, and pharmacology. METHODS: The collection of previous research is basically dependent on the reliable resources Sci- Finder, Google Scholar, ScienceDirect, reputation publishers, and thesis books. RESULTS: A. pilosa was found to contain a variety of chemical classes. To date, more than 160 secondary metabolites have been separated, and the derivatives type flavonoids, phloroglucinols, tannins, isocoumarins, and triterpenoids are the main components. A. pilosa crude extracts and their isolates set a broad panel of pharmacological values, including anti-cancer, anti-microbial, antivirus, anti-oxidant, anti-inflammation, anti-diabetes, anti-osteosarcoma, anti-aging, anti-nociception, anti-adipogenesis, anti-leishmaniasis, estrogenic-like activity, neuroprotective and hepatoprotective activities, and vascular relaxation. CONCLUSION: In vitro and in vivo results also successfully explained the pharmacological mechanisms of A. pilosa constituents. More bioassay-guided phytochemical and clinical studies are necessary.

Thermodynamic and kinetic studies on antioxidant capacity of amentoflavone: a DFT (density functional theory) computational approach.

Density functional theory (DFT) at the theoretical M06-2X/6-311G(d,p) level was used to assess thermodynamics and kinetics in the antioxidative action of amentoflavone (AF). The antioxidative HAT pathway (H-atom transfer) is assigned to this compound in gas, but the SPL-ET (sequential proton loss-electron transfer) is the main route in polar solvents methanol and water. In all four mediums gas, benzene, methanol, and water, 4‴-OH is the most active site in free radical quenching with the lowest BDE (bond dissociation enthalpy) values of 81.8-84.8 kcal/mol, as well as it exerted the PA (proton affinity) values of 29.8-33.0 kcal/mol in methanol and water. Regarding kinetics, when interacted with •OOH and •NO2 in gas and methanol, 4‴-OH group is also responsible for the lowest ΔG# values (Gibbs free energy of activation), and the highest rate constant K values. Acidic assessment also indicated that 4‴-OH is associated with the strongest acidity (the lowest pKa). Two favorable oriented 4‴-OH and 7-OH groups further exhibited antioxidative activity since they prevented metal ions Zn2+ and Fe2+ from participating in free radical producing processes, in which the most stable complex [FeAF(H2O)4] generated the lowest IE value of -206.2 kcal/mol, and Egap value of 3.491 kcal/mol, but the highest MIA values of 184.6 kcal/mol in methanol.

The antioxidative potential of procyanidin B1: DFT (density functional theory) and docking approaches.

Procyanidin B1 is one of the natural dimeric flavonoids. It has established a great role in antioxidative activity. In the current study, we wish to provide crucial information on its antioxidative action by the DFT computational and docking approaches. From point of thermodynamic view, at the M062X/6-311G(d,p) level, the HAT (hydrogen atom transfer) and SPL-ET (sequential proton loss-electron transfer) are principal antioxidative routes of this compound in gas and methanol, respectively. OH groups of two phenyl rings of this molecule are likely to be the best antiradical sites. In the kinetics of the interactions with HOO• radicals, OH groups of phenyl rings have also generated the best ΔG# (Gibbs free energy of activation) and rate constant K. The antioxidative action of procyanidin B1 is further confirmed by its chelation to metal ions, in which complex formation with Cu2+ having lower binding energy is more stable than complex formation with Zn2+. Docking study revealed that the antioxidative activity of procyanidin B1 involved human tyrosinase enzyme inhibition through interaction with essential residues, focusing on the OH groups of two phenyl rings.