Using transcriptomics, proteomics and phosphoproteomics as new approach methodology (NAM) to define biological responses for chemical safety assessment.

Omic-based technologies are of particular interest and importance for hazard identification and health risk characterization of chemicals. Their application in the new approach methodologies (NAMs) anchored on cellular toxicity pathways is based on the premise that any apical health endpoint change must be underpinned by some alterations at the omic levels. In the present study we examined the cellular responses to two chemicals, caffeine and coumarin, by generating and integrating multi-omic data from multi-dose and multi-time point transcriptomic, proteomic and phosphoproteomic experiments.

Landscape dynamic network biomarker analysis reveals the tipping point of transcriptome reprogramming to prevent skin photodamage.

Skin, as the outmost layer of human body, is frequently exposed to environmental stressors including pollutants and ultraviolet (UV), which could lead to skin disorders. Generally, skin response process to ultraviolet B (UVB) irradiation is a nonlinear dynamic process, with unknown underlying molecular mechanism of critical transition. Here, the landscape dynamic network biomarker (l-DNB) analysis of time series transcriptome data on 3D skin model was conducted to reveal the complicated process of skin response to UV irradiation at both molecular and network levels.

In vivo screening for anti-osteoporotic fraction from extract of herbal formula Xianlinggubao in ovariectomized mice.

Background And Objectives: Traditional Chinese Medicine (TCM) Fufang or formula Xianlinggubao (XLGB) is a prescribed TCM drug in China registered for prevention and treatment of osteoporosis. Fufang in TCM is comprised of a group of herbal compounds contributing in group to the treatment efficacy. The present study aims to identify the bioactive fraction(s) in XLGB extract that account(s) dominantly for its osteogenic effects.

Rapid identification of chemical constituents in traditional Chinese medicine fufang preparation xianling gubao capsule by LC-linear ion trap/Orbitrap mass spectrometry.

The traditional Chinese medicine fufang preparation "Xian-Ling-Gu-Bao" capsule (XLGB), which is composed of six herbal medicines, is popularly used for the treatment of osteoporosis. A reliable and effective method using LC-linear ion trap (LTQ)/Orbitrap mass spectrometry for rapid screening and identification of chemical constituents in "Xian-Ling-Gu-Bao" capsule is described in this paper. Based on the UV spectrum, mass spectrum, and the chemical components isolated from the original plants of XLGB, 118 compounds were identified or tentatively characterized, including 58 flavonoid glycosides, six prenylated flavonones, five prenylated isoflavones, six prenylated chalcones, four xanthone C-glycosides, 13 saponins, eight phenolic acids, five coumarins, three lignans, three iridoids, five phenethyl alcohol glycosides, one tanshinone and one alkaloid.

Flavonol glycosides from Epimedium pubescens.

Five new flavonol glycosides (1, 3, 5-7) were isolated from the aerial parts of Epimedium pubescens Maxim., along with two known compounds, sagittasine C (2) and 4',5-dihydroxyl-8-(3,3-dimethylallyl)-flavonol 3-O-[β-D-xylopyranosyl(1→3)-4-O-acetyl-α-L-rhamnopyranoside]-7-O-β-D-glucopyranoside (4). The structures were elucidated on the basis of their 1D-, 2D-NMR, MS, UV and IR spectra data.

Design and synthesis of biphenyl derivatives as mushroom tyrosinase inhibitors.

Two new series of biphenyls, analogs of aglycone of natural product fortuneanoside E, were prepared using Suzuki-Miyaura cross-coupling and selective magnesium iodide demethylation/debenzylation, and their mushroom tyrosinase inhibitory activity was evaluated. Most of the 4-hydroxy-3,5-dimethoxyphenyl biphenyl compounds (series II, 20-36) were in general more active than 3,4,5-trimethoxyphenyl biphenyl compounds (series I, 1-19). Structure-activity relationships study showed that monosaccharide substituents, such as glucose, were not necessary and the presence of 4-hydroxy-3,5-dimethoxyphenyl moiety was crucial for inhibitory activity.

Two new monoterpene glucosides from Paeonia lactiflora Pall.

Two new monoterpene glucosides, 4'-O-benzoylpaeoniflorin (1) and 4-O-galloylalbiflorin (2), were isolated from the 60% ethanol extract of the dried roots of Paeonia lactiflora Pall. Their structures were established on the basis of spectroscopic data.

Copacamphane, picrotoxane and cyclocopacamphane sesquiterpenes from Dendrobium nobile.

Dendronobilins K - N, four new sesquiterpenes with copacamphane-type (1), picrotoxane-type (2, 3) and cyclocopacamphane-type (4) skeletons, were isolated from the n-BuOH soluble fraction of the 60% ethanol extract of the stems of Dendrobium nobile. Their structures were established as 2beta,11,12-trihydroxycopacamphan-15-one (1), (2beta,3beta,4beta,5beta)-2,4,11,12-tetrahydroxypicrotoxan-3(15)-olactone (2), (2beta,3beta,5beta)-2,11,12,13-tetrahydroxypicrotoxan-3(15)-olactone (3), and (5beta,8beta)-cyclocopacamphane-5,8,12,15-tetrol (4) on the basis of spectroscopic analysis. Compounds 3 and 4 were inactive in both immunomodulatory and antioxidant bioassay in vitro.