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https://www.readbyqxmd.com/read/28436672/kinetic-energy-density-as-a-predictor-of-hydrogen-bonded-oh-stretching-frequencies
#1
Joseph R Lane, Anne Schou Hansen, Kasper Mackeprang, Henrik Grum Kjærgaard
This work considers the nature of the intermolecular hydrogen bond in a series of 15 different complexes with OH donor groups and N, O, P or S acceptor atoms. To complement the existing literature, room temperature gas phase vibrational spectra of the methanol-pyridine, ethanol-pyridine and 2,2,2-trifluoroethanol-pyridine complexes were recorded. These complexes were chosen as they exhibit hydrogen bonds of intermediate strength as compared to previous investigations that involved strong or weak hydrogen bonds...
April 24, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28435224/investigation-of-triamterene-as-an-inhibitor-of-the-tgr5-receptor-identification-in-cells-and-animals
#2
Yingxiao Li, Kai Chun Cheng, Chiang-Shan Niu, Shih-Hsiang Lo, Juei-Tang Cheng, Ho-Shan Niu
BACKGROUND: G-protein-coupled bile acid receptor 1 (GPBAR1, also known as TGR5) has been shown to participate in glucose homeostasis. In animal models, a TGR5 agonist increases incretin secretion to reduce hyperglycemia. Many agonists have been developed for clinical use. However, the effects of TGR5 blockade have not been studied extensively, with the exception of studies using TGR5 knockout mice. Therefore, we investigated the potential effect of triamterene on TGR5. METHODS: We transfected the TGR5 gene into cultured Chinese hamster ovary cells (CHO-K1 cells) to express TGR5...
2017: Drug Design, Development and Therapy
https://www.readbyqxmd.com/read/28431928/cisplatin-and-photodynamic-therapy-exert-synergistic-inhibitory-effects-on-small-cell-lung-cancer-cell-viability-and-xenograft-tumor-growth
#3
You-Shuang Chen, Yin-Bo Peng, Min Yao, Ji-Ping Teng, Da Ni, Zhi-Jun Zhu, Bu-Feng Zhuang, Zhi-Yin Yang
Lung cancer is the leading cause of cancer death worldwide. Small-cell lung cancer (SCLC) is an aggressive type of lung cancer that shows an overall 5-year survival rate below 10%. Although chemotherapy using cisplatin has been proven effective in SCLC treatment, conventional dose of cisplatin causes adverse side effects. Photodynamic therapy, a form of non-ionizing radiation therapy, is increasingly used alone or in combination with other therapeutics in cancer treatment. Herein, we aimed to address whether low dose cisplatin combination with PDT can effectively induce SCLC cell death by using in vitro cultured human SCLC NCI-H446 cells and in vivo tumor xenograft model...
April 18, 2017: Biochemical and Biophysical Research Communications
https://www.readbyqxmd.com/read/28430443/theoretical-investigation-of-the-binding-of-nucleobases-to-cucurbiturils-by-dispersion-corrected-dft-approaches
#4
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha
The encapsulation of nucleobases, inside CB7 has gained prominence due to its use as anticancer and antiviral drugs. With this respect, the nonconvalent interactions exists in the nucleobases encapsulated inside the CB7 cavity have been analyzed employing the dispersion corrected density functional theory. The CBn cavity has the ability to encapsulate two guest nucleobases molecules, when they are aligned in parallel configuration. The computed association energy using the two and three body correction method computed at B3LYP-D3 level is close to the experimental estimate...
April 21, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28429751/preclinical-study-of-raav2-strail-pharmaceutical-efficacy-biodistribution-and-safety-in-animals
#5
Q Ru, W Li, X Wang, S Zhang, L Chen, Y Zhang, Y Ge, Y Zu, Y Liu, D Zheng
The recombinant sTRAIL has been in clinical trial for various human malignancies. However, the half-life time of sTRAIL is very short, which might be an important factor influencing its clinical efficacy for cancer therapy. We previously reported the recombinant adeno-associated virus (AAV)-encoding sTRAIL95-281-mediated sTRAIL expression in vivo up to 8 months and suppressed tumor growth markedly in mouse xenografts. In the present study, we further evaluated the clinical potency for cancer gene therapy and the safety in mouse and non-human primates...
April 21, 2017: Cancer Gene Therapy
https://www.readbyqxmd.com/read/28427199/combinatorial-treatment-with-polyi-c-and-anti-il6-enhances-apoptosis-and-suppresses-metastasis-of-lung-cancer-cells
#6
Wai Hoe Lau, Xiphias Ge Zhu, Shamaine Wei Ting Ho, Shu Chun Chang, Jeak Ling Ding
Activation of TLR3 stimulates cancer cell apoptosis and triggers secretion of inflammatory cytokines. PolyI:C, a TLR3 agonist, activates immune cells and regresses metastatic lung cancer in vivo. Although polyI:C reportedly kills lung carcinomas, the mechanism remains elusive. Here, we demonstrated that polyI:C suppressed the proliferation and survival of metastatic (NCI-H358 and NCI-H292) and non-metastatic (A549) lung cancer cells. Notably, A549, NCI-H292 and NCI-H358 which are inducible by polyI:C, expressed low-to-medium level of TLR3 protein, and were susceptible to polyI:C treatment...
March 2, 2017: Oncotarget
https://www.readbyqxmd.com/read/28427087/pretreatment-serum-uracil-concentration-as-a-predictor-of-severe-and-fatal-fluoropyrimidine-associated-toxicity
#7
Didier Meulendijks, Linda M Henricks, Bart A W Jacobs, Abidin Aliev, Maarten J Deenen, Niels de Vries, Hilde Rosing, Erik van Werkhoven, Anthonius de Boer, Jos H Beijnen, Caroline M P W Mandigers, Marcel Soesan, Annemieke Cats, Jan H M Schellens
BACKGROUND: We investigated the predictive value of dihydropyrimidine dehydrogenase (DPD) phenotype, measured as pretreatment serum uracil and dihydrouracil concentrations, for severe as well as fatal fluoropyrimidine-associated toxicity in 550 patients treated previously with fluoropyrimidines during a prospective multicenter study. METHODS: Pretreatment serum concentrations of uracil and dihydrouracil were measured using a validated LC-MS/MS method. The primary endpoint of this analysis was global (any) severe fluoropyrimidine-associated toxicity, that is, grade ⩾3 toxicity according to the NCI CTC-AE v3...
April 20, 2017: British Journal of Cancer
https://www.readbyqxmd.com/read/28425854/rationale-design-synthesis-cytotoxicity-evaluation-and-molecular-docking-studies-of-1-3-4-oxadiazole-analogues
#8
Mohamed Jawed Ahsan, Arun Choupra, Rakesh Kumar Sharma, Surender Singh Jadav, Mohd Zaheen Hassan, Mohammed Afroz Bakht, Pannala Padmaja, Abdulmalik Bin Saleh Al-Tamimi, Mohammed H Geesi
We report herein, the synthesis of two new series of oxadiazole analogues, and their cytotoxicity evaluation. The oxadiazole analogues (5a-h and 12a-h) were structurally related to the heterocyclic (1,3,4- oxadiazole) linked aryl core of IMC-038525 (tubulin polymerization inhibitor), NSC 776715, and NSC 776716, with further modification by incorporating methylene linker. The title compounds (5a-h and 12a-h) were synthesized in good yields, and were characterized by IR, NMR, and mass spectral data. The cytotoxicity evaluation was carried out according to the National Cancer Institute (NCI US) Protocol against NCI-60 human cell lines derived from nine different panels...
April 19, 2017: Anti-cancer Agents in Medicinal Chemistry
https://www.readbyqxmd.com/read/28423768/evaluation-of-the-terminology-coverage-in-the-french-corpus-lissa
#9
Chloé Cabot, Lina F Soualmia, Julien Grosjean, Nicolas Griffon, Stéfan J Darmoni
Extracting concepts from medical texts is a key to support many advanced applications in medical information retrieval. Entity recognition in French texts is moreover challenged by the availability of many resources originally developed for English texts. This paper proposes an evaluation of the terminology coverage in a corpus of 50,000 French articles extracted from the bibliographic database LiSSa. This corpus was automatically indexed with 32 health terminologies, published in French or translated. Then, the terminologies providing the best coverage of these documents were determined...
2017: Studies in Health Technology and Informatics
https://www.readbyqxmd.com/read/28423648/polyisoprenylated-cysteinyl-amide-inhibitors-disrupt-actin-cytoskeleton-organization-induce-cell-rounding-and-block-migration-of-non-small-cell-lung-cancer
#10
Elizabeth Ntantie, Jerrine Fletcher, Felix Amissah, Olufisayo O Salako, Augustine T Nkembo, Rosemary A Poku, Francis O Ikpatt, Nazarius S Lamango
The malignant potential of Non-Small Cell Lung Cancer (NSCLC) is dependent on cellular processes that promote metastasis. F-actin organization is central to cell migration, invasion, adhesion and angiogenesis, processes involved in metastasis. F-actin remodeling is enhanced by the overexpression and/or hyper-activation of some members of the Rho family of small GTPases. Therefore, agents that mitigate hyperactive Rho proteins may be relevant for controlling metastasis. We previously reported the role of polyisoprenylated cysteinyl amide inhibitors (PCAIs) as potential inhibitors of cancers with hyperactive small GTPases...
March 7, 2017: Oncotarget
https://www.readbyqxmd.com/read/28423559/rottlerin-as-a-novel-chemotherapy-agent-for-adrenocortical-carcinoma
#11
Yi Zhu, Minjie Wang, Xu Zhao, Lei Zhang, Yigao Wu, Bangqi Wang, Weilie Hu
Adrenocortical carcinoma (ACC) is a rare, but aggressive endocrine malignancy with a generally poor clinical outcome. There is no effective therapy for advanced and metastatic ACC. In our study, we found that an existing drug (rottlerin) exerted its tumour-suppressive function in ACC. Specifically, rottlerin inhibited cellular proliferation of ACC cell lines (NCI-H295R and SW-13) in a dose- and time-dependent manner. We also found that rottlerin induced cell apoptosis and promoted G0/G1 cell cycle arrest in ACC cell lines...
April 4, 2017: Oncotarget
https://www.readbyqxmd.com/read/28423524/critically-short-telomeres-and-toxicity-of-chemotherapy-in-early-breast-cancer
#12
Miguel Quintela-Fandino, Nora Soberon, Ana Lluch, Luis Manso, Isabel Calvo, Javier Cortes, Fernando Moreno-Antón, Miguel Gil-Gil, Noelia Martinez-Jánez, Antonio Gonzalez-Martin, Encarna Adrover, Raquel de Andres, Gemma Viñas, Antonio Llombart-Cussac, Emilio Alba, Silvana Mouron, Juan Guerra, Begoña Bermejo, Esther Zamora, Jose Angel García-Saenz, Sonia Pernas Simon, Eva Carrasco, María José Escudero, Ruth Campo, Ramón Colomer, Maria A Blasco
Cumulative toxicity from weekly paclitaxel (myalgia, peripheral neuropathy, fatigue) compromises long-term administration. Preclinical data suggest that the burden of critically short telomeres (< 3 kilobases, CSTs), but not average telomere length by itself, accounts for limited tissue renewal and turnover capacity. The impact of this parameter (which can be modified with different therapies) in chemotherapy-derived toxicity has not been studied.Blood from 115 treatment-naive patients from a clinical trial in early HER2-negative breast cancer that received weekly paclitaxel (80 mg/m2 for 12 weeks) either alone or in combination with nintedanib and from 85 healthy controls was prospectively obtained and individual CSTs and average telomere lenght were determined by HT Q-FISH (high-throughput quantitative FISH)...
March 28, 2017: Oncotarget
https://www.readbyqxmd.com/read/28422983/kiaa1199-promotes-migration-and-invasion-by-wnt-%C3%AE-catenin-pathway-and-mmps-mediated-emt-progression-and-serves-as-a-poor-prognosis-marker-in-gastric-cancer
#13
Shuqin Jia, Tingting Qu, Xiaohong Wang, Mengmeng Feng, Yang Yang, Xuemin Feng, Ruiting Ma, Wenmei Li, Ying Hu, Yi Feng, Ke Ji, Ziyu Li, Wenguo Jiang, Jiafu Ji
BACKGROUND: KIAA1199 was upregulated in diverse cancers, but the association of KIAA1199 with gastric cancer (GC), the biological role of KIAA1199 in GC cells and the related molecular mechanisms remain to be elucidated. METHODS: KIAA1199 expression was analysed by reverse transcription-polymerase chain reaction assay (RT-PCR) and immunohistochemistry (IHC) in GC patient tissue. The small hairpin RNA (shRNA) was applied for the knockdown of endogenous KIAA1199 in NCI-N87 and AGS cells...
2017: PloS One
https://www.readbyqxmd.com/read/28422067/synthesis-characterization-antimicrobial-and-antiproliferative-activity-evaluation-of-cu-ii-co-ii-zn-ii-ni-ii-and-pt-ii-complexes-with-isoniazid-derived-compound
#14
Elena Pahonțu, Diana-Carolina Ilieș, Sergiu Shova, Camelia Oprean, Virgil Păunescu, Octavian Tudorel Olaru, Flavian Ștefan Rădulescu, Aurelian Gulea, Tudor Roșu, Doina Drăgănescu
Hydrazone complexes of Cu(II), Co(II), Zn(II), Ni(II) and Pt(II) with N-isonicotinoyl-N'-(3-metoxy-2 hydroxybenzaldehyde)-hydrazone (HL) were synthesized and characterized by different physico-chemical techniques including elemental and thermal analysis, magnetic susceptibility measurements, molar electric conductivity, as well as IR (infrared), ¹H-NMR and (13)C-NMR (hydrogen and carbon nuclear magnetic resonance, UV-Vis (ultraviolet-visible), FAB (fast atom bombardment), EPR (electron paramagnetic resonance), and mass spectroscopies...
April 19, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28418507/use-of-bayesian-decision-analysis-to-minimize-harm-in-patient-centered-randomized-clinical-trials-in-oncology
#15
Vahid Montazerhodjat, Shomesh E Chaudhuri, Daniel J Sargent, Andrew W Lo
Importance: Randomized clinical trials (RCTs) currently apply the same statistical threshold of alpha = 2.5% for controlling for false-positive results or type 1 error, regardless of the burden of disease or patient preferences. Is there an objective and systematic framework for designing RCTs that incorporates these considerations on a case-by-case basis? Objective: To apply Bayesian decision analysis (BDA) to cancer therapeutics to choose an alpha and sample size that minimize the potential harm to current and future patients under both null and alternative hypotheses...
April 13, 2017: JAMA Oncology
https://www.readbyqxmd.com/read/28415625/coroglaucigenin-enhances-the-radiosensitivity-of-human-lung-cancer-cells-through-nrf2-ros-pathway
#16
Meng Sun, Dong Pan, Yaxiong Chen, Ya Li, Kun Gao, Burong Hu
Seven cardenolides isolated from the ethanol extract of the stems of Calotropis gigantea were evaluated in vitro against human cancer cells and the structure-activity relationships were discussed. The results demonstrated that a compound, named CGN (coroglaucigenin), had better anti-proliferative activity with the IC50 value less than 6 μM among these compounds. Further, we found that CGN displayed much lower cytotoxicity to normal lung epithelial cells (BEAS-2B) than cancer cells (A549). Especially, our results demonstrated that treatment with CGN (1 μM) combined with X-ray irradiation induced higher radiosensitivity in human lung cancer cells (A549, NCI-H460, NCI-H446) but not in BEAS-2B...
March 22, 2017: Oncotarget
https://www.readbyqxmd.com/read/28414076/inhibition-of-trxr2-suppressed-nsclc-cell-proliferation-metabolism-and-induced-cell-apoptosis-through-decreasing-antioxidant-activity
#17
Lina Bu, Wei Li, Zongjuan Ming, Jie Shi, Ping Fang, Shuanying Yang
AIMS: This study aims to analyze the effect of thioredoxin reductase 2 (TrxR2) on lung cancer cell proliferation, apoptosis, invasion and migration in vitro. MAIN METHODS: Real-time PCR was used to measure the expression of TrxR2 in NSCLC tumor tissues. After pAd-TrxR2 or shRNA-TrxR2 was transfected into A549 or NCI-H1299 cells, the cell proliferation was measured by CCK-8 method; cell apoptosis was measured by flow cytometry; cell invasion and migration was measured by Transwell method...
April 14, 2017: Life Sciences
https://www.readbyqxmd.com/read/28410270/the-aurora-kinase-inhibitor-amg-900-increases-apoptosis-and-induces-chemosensitivity-to-anticancer-drugs-in-the-nci-h295-adrenocortical-carcinoma-cell-line
#18
Kleiton S Borges, Augusto F Andrade, Vanessa S Silveira, David S Marco Antonio, Elton J R Vasconcelos, Sonir R R Antonini, Luiz G Tone, Carlos A Scrideli
Adrenocortical tumor (ACT) is a malignancy with a low incidence rate and the current therapy for advanced disease has a limited impact on overall patient survival. A previous study from our group suggested that elevated expression of aurora-A and aurora-B is associated with poor outcome in childhood ACT. Similar results were also reported for adult ACTs. The present in-vitro study shows that AMG 900 inhibits aurora kinases in adrenocortical carcinoma cells. AMG 900 inhibited cell proliferation in NCI-H295 cells as well as in the ACT primary cultures and caused apoptosis in the cell line NCI-H295...
April 13, 2017: Anti-cancer Drugs
https://www.readbyqxmd.com/read/28408844/non-small-cell-lung-cancer-cell-lines-a549-and-nci-h460-express-hypoxanthine-guanine-phosphoribosyltransferase-on-the-plasma-membrane
#19
Michelle H Townsend, Michael D Anderson, Evita G Weagel, Edwin J Velazquez, K Scott Weber, Richard A Robison, Kim L O'Neill
In both males and females, lung cancer is one of the most lethal cancers worldwide and accounts for >30% of cancer-related deaths. Despite advances in biomarker analysis and tumor characterization, there remains a need to find suitable biomarker antigen targets for treatment in late-stage lung cancer. Previous research on the salvage pathway enzyme TK1 shows a unique relationship with cancer patients as serum levels are raised according to cancer grade. To expand this analysis, the other salvage pathway enzymes were evaluated for possible upregulation within lung cancer...
2017: OncoTargets and Therapy
https://www.readbyqxmd.com/read/28406239/cmd-05-a-novel-promising-clinical-anti-diabetic-drug-candidate-in-vivo-and-vitro-studies
#20
Jie Ma, Huan Li, Xiangnan Hu, Lu Yang, Qi Chen, Congli Hu, Zhihao Chen, Xiaoyan Tian, Yang Yang, Ying Luo, Run Gan, Junqing Yang
Dipeptidyl peptidase IV (DPP-IV) inhibitor has been expected to be a new class of anti-diabetic agent. The present study was designed to characterize the pharmacological profiles of CMD-05, a novel DPP-IV inhibitor discovered in our laboratory, in vitro and in vivo. The IC50 of CMD-05 on DPP-IV inhibitory activity was approximately 12 nM while vildagliptin was 3.5 nM in vitro. In diabetes rat model established by high fat diet/low dose streptozotocin, CMD-05 inhibited DPP-IV activity, significantly improved glucose tolerance, increased GLP-1 and insulin levels in plasma...
April 13, 2017: Scientific Reports
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