Protein tyrosine phosphatase 1B (PTP1B) is an attractive molecular target for anti-diabetes, anti-obesity, and anti-cancer drug development. From the seeds of Silybum marianum, nine flavonolignans, namely, silybins A, B (1, 2), isosilybins A, B (3, 4), silychristins A, B (5, 6), isosilychristin A (7), dehydrosilychristin A (8), and silydianin (11) were identified as a novel class of natural PTP1B inhibitors (IC50 1.3 7–23.87 µM). Analysis of structure–activity relationship suggested that the absolute configurations at C-7" and C-8" greatly affected the PTP1B inhibitory activity. Compounds 1–5 were demonstrated to be non-competitive inhibitors of PTP1B based on kinetic analyses. Molecular docking simulations resulted that 1–5 docked into the allosteric site, including α3, α6, and α7 helix of PTP1B. At a concentration inhibiting PTP1B completely, compounds 1–5 moderately inhibited VHR and SHP-2, and weakly inhibited TCPTP and SHP-1. These results suggested the potentiality of these PTP1B inhibitors as lead compounds for further drug developments.
A new polyketide, penicillolide (1) was isolated from the fermentation broth of the marine-derived fungus Penicillium sacculum GT-308. Compound 1 is a polyketide with a unique carbon skeleton. The structure of this compound was established via extensive spectroscopic analyses including 1D-, 2D-NMR, and HRESI-MS.
BACKGROUND Conventional chemotherapy (CC) administered to patients with non-small cell lung cancer (NSCLC) often causes adverse effects, such as cardiopulmonary dysfunction and immune system imbalance. Patients may experience anxiety and depression during the perioperative period due to various factors, such as treatment costs and cancer recurrence risks, thereby compromising the overall quality of life. Consequently, we hypothesized that integrating mindfulness-based stress reduction training (MSRT) with Jinshui Liujun decoction may mitigate negative emotions and promote recovery in patients with NSCLC. AIM To explore the effects of MSRT and Jinshui Liujun decoction on the immune function and emotional state of NSCLC patients. METHODS A retrospective clinical study was conducted involving 92 patients with stage IIIb-IV NSCLC; 35 patients in the control group (CG) received CC therapy (combination of pemetrexed and carboplatin), and 57 patients in the treatment group (TG) received MSRT-assisted flavored Jinshui Liujun decoction (FJLD) in addition to CC. We evaluated the survival time, Karnofsky performance status, treatment efficacy, traditional Chinese medicine syndrome score, immune function, negative emotional level, and adverse reactions of the CG and TG. RESULTS Median progression-free survival, Karnofsky performance status, and clinical efficacy of the TG were superior to those of the CG (P < 0.05). Symptoms of cough, weakness, bloody sputum, shortness of breath, and chest pain significantly decreased in the TG compared to that in the CG (P < 0.05). In the TG, MSRT + FJLD treatment increased the numbers of CD3+ and CD4+ immune cells, effectively reduced the number of CD8+ cells, and enhanced the CD4+/CD8+ ratio, thereby restoring the immune function of patients. In the TG, the self-rating anxiety scale and self-rating depression scale scores decreased significantly. There was no statistically significant difference in the incidence of adverse reactions between the CG and TG (P > 0.05). CONCLUSION MSRT + FJLD proved to be an effective treatment for patients with NSCLC.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Three new sterols, 3β,16α-dihydroxy-5α,17β-cholestan-21-carboxylic acid (1), 3β-acetoxy-16α-hydroxy-5α,17β-cholestan-21-carboxylic acid (2) and 3β-(3-hydroxybutyroxy)-16α-hydroxy-5α,17β-cholestan-21-carboxylic acid (3) were isolated from Selaginella tamariscina (Beauv.) Spring (Selaginellaceae). Their structures were elucidated based on NMR analyses. The growth inhibitory effects and differentiation induction abilities of compounds 1 - 3 were determined in human leukemia HL-60 cells. Compound 1 was more effective than compounds 2 and 3 in inhibiting cell growth, but compound 3 was more effective than compounds 1 and 2 in enhancing induction of all-trans-retinoic acid differentiation.
Two pairs of enantiomeric alkaloid dimers, (±)-macleayins A (1) and B (2), representing a novel dimerization pattern of two different types of alkaloids via a C–C σ-bond, were isolated from the aerial parts of Macleaya cordata. The enantiomeric separation was achieved by chiral chromatography. Their structures and stereochemistry were determined by the analysis of extensive spectroscopic data, electronic circular dichroism calculation, and single-crystal X-ray diffraction data. (−)-Macleayin A exhibits modest cytotoxic activity against HL-60 cell line with the IC50 value of 3.51 μM.
Two new triterpenoids, 2α-hydroxy-3β-O-acetyllup-20(29)-en-28-oic acid (1) and 3-O-(4′-O-acetyl)-α-L-arabinopyranosyloleanolic acid (2), together with two known triterpenoids, betulinic acid (3) and messagenic acid (4) were isolated from the CHCl3 extract of Garcinia hanburyi resin. The structures were elucidated by analysis of the NMR spectroscopic data. The antiproliferative effects and the apoptosis induction abilities of compounds 1 and 2 were determined in four human leukemia cell lines. Compound 2 was more potent than compound 1 in inhibiting cell growth with IC50 values of 2.45, 2.69, 2.42, and 4.15 μM in HL-60, NB4, U937 and K562 cells, respectively.
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