Bio-guided isolation of anti-inflammatory compounds from Tilia tuan Szyszyl. flowers via in vitro and in silico study.

Ethnopharmacological Relevance: Tilia tuan Szyszyl. is a perennial arboreal plant renowned for its medicinal and economic significance. All the roots, stems, leaves, flowers, and fruits have been used medicinally by the folk Bai and Yi people in Yunnan province, China, to treat inflammation, rheumatism and pain for a long time.

Cytochalasans from the Endophytic Fungus sp. shj2 and Their Antimigratory Activities.

Cytochalasans from the endophytic fungi featured structure diversity. Our previous study has disclosed that cytochalasans from the endophytic fungus sp. shj2 exhibited an antimigratory effect.

Discovery of isopenicin A, a meroterpenoid as a novel inhibitor of tubulin polymerization.

Microtubules are involved in celluar processes of movement, intracellular trafficking and mitosis, thus microtubule-targeting agents have been widely used in cancer therapy. Herein, we report isopenicin A, a novel meroterpenoid isolated from the plant endophytic fungus of Penicillium sp. sh18, as a novel microtubule binding molecule that efficiently depolymerizes microtubule polymerization to evoke G2/M cell cycle arrest and subsequent cell apoptosis, contributing to proliferation inhibition of human tumor cell lines.

Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase.

kinase plays a key role in the arrest of G2/M checkpoint that prevents mitotic entry in response to DNA damage. This work is to discover potent Wee1 inhibitors which can be considered valuable. Herein, Ensemble docking using multiple crystal structures was considered an effective strategy in the virtual screening.

-Derived 4β-Hydroxywithanolide E, a Novel Antagonist of Wnt Signaling, Inhibits Colorectal Cancer and .

Deregulation of the Wnt signaling pathway leads to colorectal cancer progression. Natural dietary compounds serve as promising candidates for development as chemopreventive agents by suppressing the Wnt/β-catenin signaling pathway. -derived 4βHWE showed a significant inhibitory activity with a calculated IC of 0.

Isopenicins A-C: Two Types of Antitumor Meroterpenoids from the Plant Endophytic Fungus Penicillium sp. sh18.

Isopenicins A-C (1-3), three novel meroterpenoids possessing two types of unprecedented terpenoid-polyketide hybrid skeletons, were isolated from the cultures of Penicillium sp. sh18. Their structures were determined through synergetic use of extensive spectroscopic analysis, quantum-chemical calculation with ANN-PRA analysis, and X-ray crystallographic analysis.

Enantioselective N-Heterocyclic Carbene-Catalyzed Synthesis of Spirocyclic Oxindole-benzofuroazepinones.

Herein, we report an enantioselective synthesis of azepinones via the N-heterocyclic carbene (NHC) catalyzed [3+4] annulation reaction of isatin-derived enals and aurone-derived azadienes. The corresponding spirocyclic oxindole-benzofuroazepinones were obtained in good yields, with excellent diastereo- and enantioselectivities. The resulted azepinones were evaluated for their in vitro cytotoxic activities against six human tumor cell lines, with two compounds showing significant inhibitory activity comparable with that of cisplatin.

Natural and Semisynthetic Tigliane Diterpenoids with New Carbon Skeletons from Euphorbia dracunculoides as a Wnt Signaling Pathway Inhibitor.

Euphordraculoates A (1) and B (2), featuring tigliane diterpenoids with two new carbon skeletons, were characterized as metabolites of Euphorbia dracunculoides and semisynthetic products, respectively. Their structures were determined by spectroscopic analyses and X-ray crystallography. The respective biosynthetic and chemical formation mechanisms for 1 and 2 from a known tigliane 3 was proposed.

Diffusion Kurtosis Imaging Detects Microstructural Changes in the Brain after Acute Alcohol Intoxication in Rats.

The aim of this study was to test the technical feasibility of diffusion kurtosis imaging (DKI) in the brain after acute alcohol intoxication. Diffusion tensor imaging (DTI) and DKI during 7.0 T MRI were performed in the frontal lobe and thalamus before and 30 min, 2 h, and 6 h after ethyl alcohol administration.

Evaluation of mean diffusion and kurtosis MRI mismatch in subacute ischemic stroke: Comparison with NIHSS score.

Neurological deterioration (ND) is a devastating complication following ischemic stroke. This study aimed to identify the differences in lesion characteristics in subacute ischemic stroke patients with and without ND using diffusional kurtosis imaging (DKI), as well as to confirm the responsible lesions that may lead to ND, as assessed by the National Institutes of Health Stroke Scale (NIHSS) score. Seventy-nine patients with subacute cerebral infarction were allocated to the ND (-) and ND (+) groups according to the NIHSS score and lesion number.

Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2.

Phomopchalasins A (1) and B (2), two novel cytochalasans with unprecedented carbon skeletons, and phomopchalasin C (3), containing a rare hydroperoxyl motif, were obtained from the endophytic fungus Phomopsis sp. shj2, which was first isolated from the Isodon eriocalyx var. laxiflora.

Bisleuconothine A, a bisindole alkaloid, inhibits colorectal cancer cell in vitro and in vivo targeting Wnt signaling.

Wnt signaling pathway is aberrantly activated in a variety of cancers, especially in colorectal cancer and small molecule antagonists of Wnt/β-catenin signaling are attractive candidates for developing effective therapeutics. In the present study, we identified Bisleuconothine A, a bisindole alkaloid with an eburnane-aspidosperma type skeleton, as a novel and selective Wnt signaling inhibitor by using a cell-based luciferase assay system. Our study found that Bisleuconothine A down-regulated the endogenous Wnt target gene expression through promoting phosphorylation of β-catenin and the subsequent inhibition of its nuclear translocation in HCT116 and SW480 colorectal cancer cells.

Biflavone Ginkgetin, a Novel Wnt Inhibitor, Suppresses the Growth of Medulloblastoma.

Medulloblastoma (MB) is a form of malignant brain tumor that predominantly arises in infants and children, of which approximately 25 % is due to upregulation of canonical Wnt pathway with mainly mutations in CTNNB1. Therefore, Wnt inhibitors could offer rational therapeutic strategies and chemoprevention for this malignant cancer. In our present study, we undertook a screening for antagonists of Wnt signaling from 600 natural compounds, and identified Ginkgetin, a biflavone isolated from Cephalotaxus fortunei var.

Cycloartane Glycosides from the Roots of with Wnt Signaling Pathway Inhibitory Activity.

Four new 9,19-cycloartane triterpenoids, cimilactone E (), cimilactone F (), 2'--()-butenoyl-23--26-deoxyactein (), and 2',12--diacetylcimiracemonol-3---d-xylopyranoside (), together with four known constituents (-) were isolated from the roots of . The new structures were elucidated by extensive spectroscopic analysis. In addition, compounds and showed significant Wnt signaling pathway inhibitory activity, with IC values of 3.

New cytotoxic and anti-inflammatory compounds isolated from Morus alba L.

Six Diels-Alder adducts (1-6) and nine prenylated flavanones (7-15) were isolated from the root bark of Morus alba L. Among them, soroceal B (1) and sanggenol Q (7) were new compounds. Their structures were elucidated on the basis of extensive spectroscopic methods, including 1D and 2D NMR techniques.

Identification and validation of p50 as the cellular target of eriocalyxin B.

As an ent-kaurene diterpenoid isolated from Isodon eriocalyx var. Laxiflora, Eriocalyxin B (EriB) possesses potent bioactivity of antitumor and anti-autoimmune inflammation, which has been suggested to work through inhibition of NF-kappaB (NF-κB) signaling. However, the direct target of EriB remains elusive.

Two Natural ent-kauranoids as Novel Wnt Signaling Inhibitors.

Constitutively active Wnt signaling frequently occurs in most colon cancers. Therefore, inhibitors of Wnt signaling pathway could provide rational therapeutic effects for colorectal malignancy. Within this paper, we identified two inhibitors of Wnt signaling pathway, rabdoternin B and maoecrystal I from a natural ent-kauranoid library by a dual-luciferase reporter gene assay.

Bioactive phenolics and terpenoids from Manglietia insignis.

Four new compounds, maninsigins A-D (1-4), including two new neolignans (1-2) and two new sesquiterpenes (3-4), as well as ten known compounds (5-14), were isolated from the leaves and stems of Manglietia insignis. Their structures were established on the basis of extensive spectroscopic analyses. In addition, some compounds were tested for their cytotoxic and neurite outgrowth-promoting activities, as well as their antagonistic activity toward FXR ligand.

Enmein-type diterpenoids from the aerial parts of Isodon rubescens and their cytotoxicity.

Three new enmein-type diterpenoids, jianshirubesins A-C (1-3), together with ten known compounds, were isolated from the aerial parts of Isodon rubescens. Their structures were established by using spectroscopic methods, and the absolute configuration of compound 1 was confirmed by a single-crystal X-ray diffraction analysis. All compounds except 3 were evaluated for their in vitro cytotoxicity by MTT assay, and compounds 5 and 10 exhibited significant inhibitory ability on selected cell lines.

Ternifolide A, a new diterpenoid possessing a rare macrolide motif from Isodon ternifolius.

Ternifolide A (1), a new diterpenoid featuring a unique 10-membered lactone ring formed between C-6 and C-15, along with ternifolide B (2), a nor-diterpenoid, and ternifolide C (3) were isolated from the leaves of Isodon ternifolius. Both H-8 and H-9 being α-orientations in compound 1 were found for the first time. The absolute configurations of 1 and 3 were confirmed by X-ray diffraction study.

β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang.

A phytochemical work on the alkaloid constituents from Trigonostemon lii Y.T. Chang was conducted to give six new β-carboline alkaloids, trigonostemines A-F (1-6) and eight known β-carboline alkaloids (7-14).

Melodinines M-U, cytotoxic alkaloids from Melodinus suaveolens.

Nine new alkaloids, melodinines M-U (1-9), and 11 known alkaloids were isolated from Melodinus suaveolens. The new structures were elucidated by extensive NMR and mass spectroscopic analyses and comparison to known compounds. All compounds were evaluated for their cytotoxicity against five human cancer cell lines.

Daphnane-type diterpene esters with cytotoxic and anti-HIV-1 activities from Daphne acutiloba Rehd.

Seven previously unreported daphnane-type diterpene esters named acutilobins A-G, together with 12 known ones, were isolated from EtOAc extract of Daphne acutiloba Rehd. Their structures were elucidated based on the spectroscopic data. The cytotoxic and anti-HIV-1 activities of these daphnane-type diterpene esters were evaluated through bioassays.

New bicyclo[3.1.0]hexane unit ent-kaurane diterpene and its seco-derivative from Isodon eriocalyx var. laxiflora.

Neolaxiflorin A (1), an unprecedented ent-kaurane diterpenoid with a bicyclo[3.1.0]hexane unit, and its seco-derivative, neolaxiflorin B (2), along with two known compounds 3 and 4 were isolated from the leaves of Isodon eriocalyx var.