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https://www.readbyqxmd.com/read/28930560/structural-and-molecular-biology-of-psp94-its-significance-in-prostate-pathophysiology
#1
Jenifer H Anklesaria, Deepa R Mhatre, Smita D Mahale
Prostate secretory protein of 94 amino acids (PSP94), primarily found in the prostatic secretion, was originally isolated and purified from human seminal plasma. PSP94 has several putative biological functions and is considered a marker of prostate cancer (PCa). Here, we review the structural-functional relationships of PSP94, address its fungicidal activity and role as an inhibitor of sperm motility and protection from female immune surveillance, and review its role in tumor suppression. We also review the diagnostic assays that are developed for PSP94 for use in the diagnosis of PCa and use of such tests in the differential diagnosis of PCa from benign prostatic hyperplasia (BPH)...
January 1, 2018: Frontiers in Bioscience (Landmark Edition)
https://www.readbyqxmd.com/read/28930308/structure-activity-relationship-study-of-proxyphos-chemosensors-for-the-detection-of-proximal-phosphorylation-and-other-phosphate-species
#2
A D Cabral, B I Murcar-Evans, K Toutah, M Bancerz, D Rosa, K Yuen, T B Radu, M Ali, A Penkul, D Kraskouskaya, P T Gunning
Chemosensors for the detection of phosphate-containing biological species are in high need. Detection of proximally phosphorylated sites of PPi and those found in peptides and proteins has been demonstrated using chemosensors containing pyrene, as a fluorescent reporter, and a Zn(2+)-chelate, as a phosphate-binding group. Using these sensors, detection of proximal phosphate groups is afforded by binding of at least two of the sensor molecules to the adjacent phosphates, via the Zn(2+) centres, leading to excimer formation between the pyrene groups and the corresponding shift in emission from 376 to 476 nm...
September 20, 2017: Analyst
https://www.readbyqxmd.com/read/28930235/current-usage-of-traditional-chinese-medicine-for-breast-cancer-a-narrative-approach-to-the-experiences-of-women-with-breast-cancer-in-australia-a-pilot-study
#3
Dianna Porter, Suzanne Cochrane, Xiaoshu Zhu
Background: The use of Traditional Chinese Medicine (TCM) by breast cancer patients is growing. Few studies have examined the complexity of breast cancer survivors' attitudes, lived experiences, barriers, and perceptions in using TCM as part of their treatment journey. This article examines breast cancer survivors' experiences, perceptions of, and benefits (or not) in using TCM. Methods: Qualitative research, using semi-structured interviews, was the chosen methodology. Results: Participants used TCM as a form of self-help and as a complement, not an alternative, to standard care...
April 21, 2017: Medicines (Basel, Switzerland)
https://www.readbyqxmd.com/read/28930060/understanding-mechanisms-of-change-for-brief-alcohol-interventions-among-youth-examination-of-within-session-interactions
#4
Maureen A Walton, Quyen M Ngo, Stephen T Chermack, Frederic C Blow, Peter F Ehrlich, Erin E Bonar, Rebecca M Cunningham
OBJECTIVE: Alcohol brief interventions (BIs) for youth are efficacious, but effect sizes found have been modest. This article presents secondary data analyses from a randomized controlled trial of motivational interviewing-based (MI) alcohol BIs among youth in an emergency department, examining within-session predictors of alcohol outcomes at 3 months among those receiving BIs. METHOD: Risky drinkers (ages 14-20) received either a computer BI (n = 277) or therapist BI (n = 278)...
September 2017: Journal of Studies on Alcohol and Drugs
https://www.readbyqxmd.com/read/28928936/exploring-differential-evolution-for-inverse-qsar-analysis
#5
Tomoyuki Miyao, Kimito Funatsu, Jürgen Bajorath
Inverse quantitative structure-activity relationship (QSAR) modeling encompasses the generation of compound structures from values of descriptors corresponding to high activity predicted with a given QSAR model. Structure generation proceeds from descriptor coordinates optimized for activity prediction. Herein, we concentrate on the first phase of the inverse QSAR process and introduce a new methodology for coordinate optimization, termed differential evolution (DE), that originated from computer science and engineering...
2017: F1000Research
https://www.readbyqxmd.com/read/28928705/the-role-of-t1-weighted-derived-measures-of-neurodegeneration-for-assessing-disability-progression-in-multiple-sclerosis
#6
REVIEW
Maria A Rocca, Giancarlo Comi, Massimo Filippi
INTRODUCTION: Multiple sclerosis (MS) is characterised by the accumulation of permanent neurological disability secondary to irreversible tissue loss (neurodegeneration) in the brain and spinal cord. MRI measures derived from T1-weighted image analysis (i.e., black holes and atrophy) are correlated with pathological measures of irreversible tissue loss. Quantifying the degree of neurodegeneration in vivo using MRI may offer a surrogate marker with which to predict disability progression and the effect of treatment...
2017: Frontiers in Neurology
https://www.readbyqxmd.com/read/28927903/linker-structure-activity-relationships-in-fluorodeoxyglucose-chlorambucil-conjugates-for-tumor-targeted-chemotherapy
#7
Mostafa El Hilali, Bastien Reux, Eric Debiton, Fernand Leal, Marie-Josephe Galmier, Magali Vivier, Jean-Michel Chezal, Elisabeth Miot-Noirault, Pascal Coudert, Valérie Weber
Nitrogen mustards, such as chlorambucil (CLB), can cause adverse side-effects due to ubiquitous distribution in non-target organs. To minimize this toxicity, strategies of tumor-targeting drug delivery have been developed, where a cytotoxic warhead is linked to a tumor-cell-specific small ligand. Malignant cells exhibit marked glucose avidity and an accelerated metabolism by aerobic glycolysis, known as the Warburg effect, and recognized as a hallmark of cancer. A targeting approach exploiting the Warburg effect by conjugation of CLB to 2-fluoro-2-deoxyglucose (FDG) was previously reported and identified two peracetylated glucoconjugates 2 and 3 with promising antitumor activities in vivo...
August 30, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/28927809/soil-acid-cations-induced-reduction-in-soil-respiration-under-nitrogen-enrichment-and-soil-acidification
#8
Yong Li, Jian Sun, Dashuan Tian, Jinsong Wang, Denglong Ha, Yuxi Qu, Guangwei Jing, Shuli Niu
Atmospheric nitrogen (N) deposition and soil acidification both can largely change soil microbial activity and root growth with a consequent impact on soil respiration (Rs). However, it remains unclear which one, N enrichment or soil acidification, plays more important role in impacting soil respiration. We conducted a manipulative experiment to simulate N enrichment (10gm(-2)yr(-1) NH4NO3) and soil acidity (0.552molH(+)m(-2)yr(-1) sulfuric acid) and compared their effects on Rs and its components in a subtropical forest...
September 16, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28927801/design-synthesis-and-antitumor-activity-of-novel-sorafenib-derivatives-bearing-pyrazole-scaffold
#9
Min Wang, Shan Xu, Huajun Lei, Caolin Wang, Zhen Xiao, Shuang Jia, Jia Zhi, Pengwu Zheng, Wufu Zhu
Four series of Sorafenib derivatives bearing pyrazole scaffold (8a-m, 9a-c, 10a-e and 11a) were synthesized and characterized by NMR and MS. All of the target compounds were evaluated for the cytotoxicity against A549, HepG2, MCF-7, and PC-3 cancer cell lines and some selected compounds were further evaluated for the activity against VEGFR-2/KDR, BRAF, CRAF, c-Met, EGFR and Flt-3 kinases. Compounds 8b and 8i were more active than that of compounds 8h, 9a, especially the IC50 value of compounds 8b on VEGFR-2 kinase was 0...
September 6, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/28927794/discovery-and-optimization-of-oxadiazole-based-flap-inhibitors
#10
Alessandra Bartolozzi, Asitha Abeywardane, Todd Bosanac, John A Broadwater, Zhidong Chen, J Matthew Hutzler, John D Huber, Peter Nemoto, Alan Olague, Doris Riether, Tom Simpson, Hidenori Takahashi, Lifen Wu, Yunlong Zhang, Renee M Zindell
Structure activity relationship (SAR) investigation of an oxadiazole based series led to the discovery of several potent FLAP inhibitors. Lead optimization focused on achieving functional activity while improving physiochemical properties and reducing hERG inhibition. Several compounds with favorable in vitro and in vivo properties were identified that were suitable for advanced profiling.
September 8, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28927788/a-structural-investigation-of-fisle-412-a-peptidomimetic-compound-derived-from-saquinavir-that-targets-lupus-autoantibodies
#11
Mingzhu He, Kai Fan Cheng, Sonya VanPatten, Ona Bloom, Betty Diamond, Yousef Al-Abed
FISLE-412 is the first reported small molecule peptidomimetic that neutralizes anti-dsDNA autoantibodies associated with systemic lupus erythematosus (SLE) pathogenesis. FISLE-412 is a complex small molecule that involves a challenging synthesis scheme, but has attractive pharmacological activities as a potential small molecule therapeutic in lupus. Therefore, we initiated a Structure-Activity Relationship study to simplify the complexity of FISLE-412. We synthesized a small library of mimetopes around the FISLE-412 structure and identified several analogues which could neutralize anti-DNA lupus antibodies in vitro and ex vivo...
September 16, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28927403/circulating-levels-and-characterization-of-microparticles-in-patients-with-different-degrees-of-glucose-tolerance
#12
Alessandra Giannella, Claudia Maria Radu, Lorenzo Franco, Elena Campello, Paolo Simioni, Angelo Avogaro, Saula Vigili de Kreutzenberg, Giulio Ceolotto
BACKGROUND: Microparticles (MPs) are vesicular structures shed from endothelial or circulating blood cells, after activation or apoptosis, and can be considered markers of vascular damage. We aimed to determine the levels of circulating MPs, their content of miRNA-126-3p and 5p, and their relationship with early endothelial activation/damage, in patients with different degree of glucose tolerance. METHODS: CD62E(+), CD62P(+), CD142(+), CD45(+) circulating MPs, their apoptotic (AnnexinV(+)) fractions, and miRNA-126 expression were determined in 39 prediabetic (PreDM), 68 type 2 diabetic (T2DM), and 53 control (NGT) subjects, along with main anthropometric and biochemical measurements...
September 19, 2017: Cardiovascular Diabetology
https://www.readbyqxmd.com/read/28927322/-it-s-important-that-we-learn-too-empowering-parents-to-facilitate-participation-in-physical-activity-for-children-and-youth-with-disabilities
#13
Claire E Willis, Siobhan Reid, Catherine Elliott, Astrid Nyquist, Reidun Jahnsen, Michael Rosenberg, Sonya Girdler
AIM: The actions and behaviors of parents have been identified as key factors that influence a child's participation in physical activity. However, there is limited knowledge of how parents can be supported to embody facilitative roles. This study aimed to explore how an ecological intervention encourages parents of children with disabilities to develop as facilitators, to enable ongoing physical activity participation in a child's local environment. METHODS: A qualitative design using grounded theory was employed...
September 20, 2017: Scandinavian Journal of Occupational Therapy
https://www.readbyqxmd.com/read/28927295/new-bioactive-compounds-from-aquatic-endophyte-chaetomium-globosum
#14
Bao-Hui Ruan, Ze-Fen Yu, Xue-Qiong Yang, Ya-Bin Yang, Ming Hu, Zhuo-Xi Zhang, Qing-Yan Zhou, Hao Zhou, Zhong-Tao Ding
Two new oxidation products-related aureonitol and cytochalasan were isolated from Chaetomium globosum fermented in Chinese yam (Dioscorea opposita) and determined as 10,11-dihydroxyl- aureonitol (1) and yamchaetoglobosin A (2). Compound 2 indicated significant inhibitory effect on nitric oxide production in LPS-activated macrophages, anti-acetylcholinesterase activity with the inhibition ratios of 92.5, 38.2% at 50 μM, and cytotoxicity to HL-60, A-549, SMMC-7721, MCF-7 and SW480 with the range of inhibition ratio at 51-96% for a concentration of 40 μM...
September 19, 2017: Natural Product Research
https://www.readbyqxmd.com/read/28927023/nematicidal-activity-of-3-acyltetramic-acid-analogues-against-pine-wood-nematode-bursaphelenchus-xylophilus
#15
Hyo-Rim Lee, Sung-Chan Lee, Ji-Eun Lee, Seon-Mi Seo, Yong-Chul Jeong, Chan-Sik Jung, Mark G Moloney, Il-Kwon Park
Among 98 3-acyltetramic acid analogues, compounds 1c, 2c, 2f and 2g, showed >90% nematicidal activity against the pine wood nematode Bursaphelenchus xylophilus at a 10 μg/mL concentration. The nematicidal activities of compounds 1d, 1h, and 2k were a little lower at 88.0%, 85.8%, and 57.2% at a 10 μg/mL concentration, respectively. The nematicidal activity of emamection benzoate, widely used in Korea for the prevention of pine wilt disease, was 32.3% at a 10 μg/mL concentration. Other 3-acyltetramic acid analogues showed less than 30% nematicidal activity...
September 18, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28926783/molecular-docking-and-qsar-analyses-of-aromatic-heterocycle-thiosemicarbazone-analogues-for-finding-novel-tyrosinase-inhibitors
#16
Huanhuan Dong, Jing Liu, Xiaoru Liu, Yanying Yu, Shuwen Cao
A collection of 36 thiosemicarbazone analogues possessed a broad span of tyrosinase inhibitory activities was designed and obtained. Robust and reliable CoMFA and CoMSIA models were gained to predict the structure-activity relationship and the new modifier direction. Inhibitory activities of the compounds were found to greatly depend upon molecular shape, size, and charge. The sterically bulky group at the C-4 position of the thiophene ring contributed a high capacity for biological activity. Some bulky substituents at the C1-position and C12-position, and electron-negative groups at the C3-position, helped to improve the activity of these analogues...
July 29, 2017: Bioorganic Chemistry
https://www.readbyqxmd.com/read/28926234/using-ultra-performance-liquid-chromatography-quadrupole-time-of-flight-mass-spectrometry-based-chemometrics-for-the-identification-of-anti-angiogenic-biflavonoids-from-edible-garcinia-species
#17
Ping Li, Grace Gar-Lee Yue, Hin-Fai Kwok, Chun-Lin Long, Clara Bik-San Lau, Edward J Kennelly
Garcinia xanthochymus fruits are edible and also used in traditional medicine. Our previous work showed that the isolated natural products from G. xanthochymus fruits have displayed antioxidant activity and cytotoxicity in the colon cancer cells. In this study, we developed a strategy to correlate a zebrafish angiogenesis assay with ultra-performance liquid chromatography quadrupole time of flight mass spectrometry-based chemometric analysis to identify potential anti-angiogenic activity compounds from G. xanthochymus fruits...
September 19, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28925983/structure-dependent-interfacial-properties-of-chaplin-f-from-streptomyces-coelicolor
#18
Mina Dokouhaki, Emma L Prime, Andrew Hung, Greg G Qiao, Li Day, Sally L Gras
Chaplin F (Chp F) is a secreted surface-active peptide involved in the aerial growth of Streptomyces. While Chp E demonstrates a pH-responsive surface activity, the relationship between Chp F structure, function and the effect of solution pH is unknown. Chp F peptides were found to self-assemble into amyloid fibrils at acidic pH (3.0 or the isoelectric point (pI) of 4.2), with ~99% of peptides converted into insoluble fibrils. In contrast, Chp F formed short assemblies containing a mixture of random coil and β-sheet structure at a basic pH of 10...
September 19, 2017: Biomolecules
https://www.readbyqxmd.com/read/28925954/quantitative-structure-activity-relationship-modeling-of-kinase-selectivity-profiles
#19
Sandeepkumar Kothiwale, Corina Borza, Ambra Pozzi, Jens Meiler
The discovery of selective inhibitors of biological target proteins is the primary goal of many drug discovery campaigns. However, this goal has proven elusive, especially for inhibitors targeting the well-conserved orthosteric adenosine triphosphate (ATP) binding pocket of kinase enzymes. The human kinome is large and it is rather difficult to profile early lead compounds against around 500 targets to gain an upfront knowledge on selectivity. Further, selectivity can change drastically during derivatization of an initial lead compound...
September 19, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28924921/mg-2-induced-dna-compaction-condensation-and-phase-separation-in-gene-delivery-vehicles-based-on-zwitterionic-phospholipids-a-dynamic-light-scattering-and-surface-enhanced-raman-spectroscopic-study
#20
Erhan Süleymanoğlu
Despite the significant efforts towards applying improved non-destructive and label-free measurements of biomolecular structures of lipid-based gene delivery vectors, little is achieved in terms of their structural relevance in gene transfections. Better understanding of structure-activity relationships of lipid-DNA complexes and their gene expression efficiencies thus becomes an essential issue. Raman scattering offers a complimentary measurement technique for following the structural transitions of both DNA and lipid vesicles employed for their transfer...
September 18, 2017: Journal of Biological Inorganic Chemistry: JBIC
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