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C24H15NO2S2, monoclinic, P21/c (no. 14), a = 20.8250(11) Å, b = 5.3649(3) Å, c = 18.8787(11) Å, β = 106.278(2)°, V = 2024.7(2) Å3, Z = 4, Rgt(F) = 0.0439, wRref(F2) = 0.1015, T = 273 K.

A new sesquiterpene, 1-carbonyl-2,8-dihydroxy-11-oxabicyclo [4,4,1] germacra- 2(3),4(5),6(7),8(9)-tetraene (1) and four known compounds (3E, 23E)-3-caffeoyl-23-coumaroylhederagenin (2), (3E, 23E)-dicoumaroylhederagenin (3), morettinone (4), 24-ehylcholesta-3,6-dione (5) were isolated from the ethyl acetate layer of the fibrous root of Alangium chinense (Lour.) Harms. The structure of compound 1 was characterized by its 1H-NMR, 13C-NMR, DEPT, HMBC, HSQC spectrums, and the structures of the known compounds were determined by comparison of their spectroscopic data with those reported by the literatures. The obtained compounds were evaluated for their anti-inflammatory against cyclooxygenase (COX-2). Compound 1 has a good inhibitory effect against COX-2 with IC50 20.43 ± 4.72 μM. The compounds 2–5 have inhibitory effect against COX-2 with IC50 49.19 ± 0.76, 23.29 ± 0.99, 47.78 ± 1.33, and 44.44 ± 0.12 μM, respectively. [ABSTRACT FROM AUTHOR]

C21H21N3O4S, triclinic, P1̄ (no. 2), a = 9.4256(9) Å, b = 10.1906(9) Å, c = 11.6539(9) Å, α = 101.896(7)°, β = 104.770(8)°, γ = 93.271(8)°, V = 1052.01(16) Å3, Z = 2, Rgt(F) = 0.0469, wRref(F2) = 0.1354, T = 293(2) K.

C24H15NO2S2, monoclinic, P21/c (no. 14), a = 20.8250(11) Å, b = 5.3649(3) Å, c = 18.8787(11) Å, β = 106.278(2)°, V = 2024.7(2) Å3, Z = 4, Rgt(F) = 0.0439, wRref(F2) = 0.1015, T = 273 K. [ABSTRACT FROM AUTHOR]

Based on the biolabel research pattern, omics and network pharmacology were used for exploring the neuroprotection of Sophora tonkinensis (ST) in the treatment of brain diseases. Multi‐omics were applied to investigate biolabels for ST intervention in brain tissue. Based on biolabels, the therapeutic potential, mechanism and material basis of ST for treating brain diseases were topologically analyzed by network pharmacology. A Parkinson's disease (PD) mouse model was used to validate biolabel analysis results. Four proteins and three metabolites were involved in two key pathways (alanine, aspartate and glutamate metabolism and arginine biosynthesis) and considered as biolabels. Network pharmacology showed that ST has the potential to treat some brain diseases, especially PD. Eight compounds (including caffeic acid, gallic acid and cinnamic acid) may serve as the material basis of ST treating brain diseases via the mediation of three biolabels. In the PD model, ST and its active compounds (caffeic acid and gallic acid) may protect dopaminergic neurons (maximum recovery rate for dopamine, 49.5%) from oxidative stress (E3 ubiquitin‐protein ligase parkin, reactive oxygen species, nitric oxide, etc.) and neuroexcitatory toxicity (glutamate dehydrogenase, glutamine, glutamic acid, etc.). These findings indicated that omics and network pharmacology may contribute to the achievement of the objectives of this study based on the biolabel research pattern. [ABSTRACT FROM AUTHOR]

A new approach for the synthesis of the active barbatic acid has been achieved in eight steps with 22.3% total yield by using commercially available methyl atratate as starting material. This synthesis provides access to multi-gram quantities of barbatic acid with good purity for reference supplies and further analytical and toxicology investigations. [ABSTRACT FROM AUTHOR]

Five 3-formyl-2-arylbenzofuran derivatives, including three new compounds (1-3) and two known analogues (4-5), were identified from the 95% EtOH extract of Itea yunnanensis. Extensive spectroscopic analyses were performed for the structure elucidation of all new benzofurans, and single-crystal X-ray diffraction analyses were further employed for the structure verification of iteafuranals C (1) and D (2). In MTT assay, iteafuranal E (3) and iteafuranal A (4) displayed significant growth inhibition effect on SK-Hep-1 cells with IC50 values of 5.365 μM and 6.013 μM, respectively. The colony formation assay of 3 and 4 further confirmed their remarkable inhibitory effect on cell growth. Preliminary mechanism study demonstrated that 3 remarkably down-regulated the phosphorylation level of ERK, which suggested 3 could inhibit cell growth and induce apoptosis of SK-Hep-1 cells by blocking RAS/RAF/MEK/ERK signaling pathway. This study highlighted the potential of 3-fomyl-2-benzofuran derivatives as novel lead compounds to treat Hepatocellular carcinoma. [ABSTRACT FROM AUTHOR]

Three compounds with diuretic potential were identified from the 95% ethanol extract of Pyrrosia petiolosa (Christ) Ching. Among them, one was a new benzanilide named petiolide A (1), and the other two were phenolic derivatives barbatic acid (2) and kaempferol (3). Their structures were elucidated based on extensive spectral analyses and comparison with the literature data. The docking experiments of all compounds into the active site of the With-No-Lysine kinase 1 (WNK1) domain demonstrated that kaempferol (3) was the most effective component with diuretic potential for its comparative diuretic effect to that of an orally bioavailable WNK inhibitor WNK463 (docking score −10.99 vs −11.09). [ABSTRACT FROM AUTHOR]

A DBU-catalyzed inter- and intramolecular double Michael addition of donor–acceptor chromone-pyrazolone/benzofuranone synthons and 3-methyl-4-nitro-5-alkenylisoxazoles has been established, which constructed structurally diverse spiro-pyrazolone/benzofuranone-hexahydroxanthone hybrids bearing five consecutive stereocenters in good yields (up to 91%) with high diastereoselectivities (up to >20:1 dr). Moreover, this strategy further expanded the synthetic potential of bifunctional donor–acceptor chromones, and demonstrated great potential for applications in medicinal chemistry. [ABSTRACT FROM AUTHOR]