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https://www.readbyqxmd.com/read/28340412/discovery-of-2-substituted-1h-benzo-d-immidazole-4-carboxamide-derivatives-as-novel-poly-adp-ribose-polymerase-1-inhibitors-with-in%C3%A2-vivo-anti-tumor-activity
#1
Jie Zhou, Ming Ji, Zhixiang Zhu, Ran Cao, Xiaoguang Chen, Bailing Xu
Novel 1H-benzo[d]immidazole-4-carboxamide derivatives bearing five-membered or six-membered N-heterocyclic moieties at the 2-position were designed and synthesized as PARP-1 inhibitors. Structure-activity relationships were conducted and led to a number of potent PARP-1 inhibitors having IC50 values in the single or double digit nanomolar level. Some potent PARP-1 inhibitors also had similar inhibitory activities against PARP-2. Among all the synthesized compounds, compound 10a and 11e displayed strong potentiation effects on temozolomide (TMZ) in MX-1 cells (PF50 = 7...
March 18, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28340357/ruthenium-complexes-with-phenylterpyridine-derivatives-target-cell-membrane-and-trigger-death-receptors-mediated-apoptosis-in-cancer-cells
#2
Zhiqin Deng, Pan Gao, Lianling Yu, Bin Ma, Yuanyuan You, Leung Chan, Chaoming Mei, Tianfeng Chen
Elucidation of the communication between metal complexes and cell membrane may provide useful information for rational design of metal-based anticancer drugs. Herein we synthesized a novel class of ruthenium (Ru) complexes containing phtpy derivatives (phtpy = phenylterpyridine), analyzed their structure-activity relationship and revealed their action mechanisms. The result showed that, the increase in the planarity of hydrophobic Ru complexes significantly enhanced their lipophilicity and cellular uptake...
March 18, 2017: Biomaterials
https://www.readbyqxmd.com/read/28340300/synthesis-of-3-o-sulfated-oligosaccharides-to-understand-the-relationship-between-structures-and-functions-of-heparan-sulfate
#3
Zhangjie Wang, Po-Hung Hsieh, Yongmei Xu, David Thieker, Evangeline Juan En Chai, Shaoshuai Xie, Brian Cooley, Robert Woods, Lianli Chi, Jian Liu
The sulfation at the 3-OH position of glucosamine is an important modification in forming structural domains for heparan sulfate to enable its biological functions. Seven 3-O-sulfotransferase isoforms in the human genome are involved in the biosynthesis of 3-O-sulfated heparan sulfate. As a rare modification present in heparan sulfate, the availability of 3-O-sulfated oligosaccharides is very limited. Here, we report the use of a chemoenzymatic synthetic approach to synthesize six 3-O-sulfated oligosaccharides, including three hexasaccharides and three octasaccharides...
March 24, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28340297/atomic-scale-snapshots-of-the-formation-and-growth-of-hollow-ptni-c-nanocatalysts
#4
Raphael Chattot, Tristan Asset, Jakub Drnec, Pierre Bordet, Jaysen Nelayah, Laetitia Dubau, Frédéric Maillard
Determining the formation and growth mechanism of bimetallic nanoparticles (NPs) with atomic detail is fundamental to synthesize efficient 'catalysts by design'. However, the understanding of the elementary steps, which take place during their synthesis remains elusive. Herein, we have exploited scanning transmission electron microscopy coupled to energy dispersive X-ray spectroscopy, operando wide angle and small angle X-ray scattering and electrochemistry to unveil the formation and growth mechanism of hollow PtNi/C NPs...
March 24, 2017: Nano Letters
https://www.readbyqxmd.com/read/28339688/an-activity-staining-method-on-filtration-paper-enables-high-throughput-screening-of-temperature-sensitive-and-inactive-mutations-of-rice-%C3%AE-amylase-for-improvement-of-rice-grain-quality
#5
Hiromoto Yamakawa, Rieko Hirai-Kimura, Yuriko Nakata, Masaru Nakata, Masaharu Kuroda, Takeshi Yamaguchi
α-Amylase is a starch-hydrolyzing enzyme (EC 3.2.1.1) indispensable for germination of cereal seeds, but it is also expressed during the ripening stage. Previous studies demonstrated that the enzyme is activated in developing rice seeds under extremely hot weather and triggers a loss of grain quality by hindering the accumulation of storage starch in the endosperm. Since inactive or, preferably, heat-labile α-amylases are preferable for breeding premium rice, we developed a method for rapid screening of inactive and temperature-sensitive mutants of the enzyme by combining the random mutagenesis by error-prone PCR and an on-filter activity test of the recombinant enzyme expressed by Escherichia coli...
February 21, 2017: Plant & Cell Physiology
https://www.readbyqxmd.com/read/28339215/discovery-and-pre-clinical-characterization-of-a-3-rd-generation-4-h-heteroaryldihydropyrimidine-hap-analogues-as-hepatitis-b-virus-hbv-capsid-inhibitors
#6
Zongxing Qiu, Xianfeng Lin, Weixing Zhang, Mingwei Zhou, Lei Guo, Buelent Kocer, Guolong Wu, Zhisen Zhang, Haixia Liu, Houguang Shi, Buyu Kou, Taishan Hu, Yimin Hu, Mengwei Huang, S Frank Yan, Zhiheng Xu, Zheng Zhou, Ning Qin, Yue Fen Wang, Shuang Ren, Hongxia Qiu, Yuxia Zhang, Yi Zhang, Xiaoyue Wu, Kai Sun, Sheng Zhong, Jianxun Xie, Giorgio Ottaviani, Yuan Zhou, Lina Zhu, Xiaojun Tian, Liping Shi, Fang Shen, Yi Mao, Xue Zhou, Lu Gao, John A T Young, Jim Zhen Wu, Guang Yang, Alexander V Mayweg, Hong C Shen, Guozhi Tang, Wei Zhu
Described herein are the discovery and structure-activity relationship (SAR) studies of the 3(rd) generation 4-H heteroaryldihydropyrimidines (4-H HAPs) featuring the introduction of a C6 carboxyl group as novel HBV capsid inhibitors. This new series of 4-H HAPs showed improved anti-HBV activity and better drug-like properties compared to the 1(st) and 2(nd) generation 4-H HAPs. X-ray crystallographic study of analogue 12 (HAP_R01) with Cp149 Y132A mutant hexamer clearly elucidated the role of C6 carboxyl group played for the increased binding affinity, which formed strong hydrogen bonding interactions with capsid protein and coordinated waters...
March 24, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28339198/discovery-of-4-3-r-4-s-5-r-6%C3%A2-chloro-4-3-chloro-2-fluorophenyl-1-ethyl-2%C3%A2-oxodispiro-cyclohexane-1-2-pyrrolidine-3-3%C3%A2-indoline-5-carboxamido-bicyclo-2-2-2-octane-1-carboxylic-acid-aa-115-apg-115-a-potent-and-orally-active-murine-double-minute-2-mdm2-inhibitor
#7
Angelo Aguilar, Jianfeng Lu, Liu Liu, Ding Du, Denzil Bernard, Donna McEachern, Sally Przybranowski, Xiaoqin Li, Ruijuan Luo, Bo Wen, Duxin Sun, Hengbang Wang, Jianfeng Wen, Guangfeng Wang, Yifan Zhai, Ming Guo, Dajun Yang, Shaomeng Wang
We previously reported the design of spirooxindoles with two identical substituents at the carbon-2 of the pyrrolidine core as potent MDM2 inhibitors. In this paper we describe an extensive structure-activity relationship study of this class of MDM2 inhibitors, which led to the discovery of 60 (AA-115/APG-115). Compound 60 has a very high affinity to MDM2 (Ki < 1 nM), potent cellular activity, and an excellent oral pharmacokinetic profile. Compound 60 is capable of achieving complete and long-lasting tumor regression in vivo and is currently in phase I clinical trials for cancer treatment...
March 24, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28335516/marine-diterpenes-molecular-modeling-of-thrombin-inhibitors-with-potential-biotechnological-application-as-an-antithrombotic
#8
Rebeca Cristina Costa Pereira, André Luiz Lourenço, Luciana Terra, Paula Alvarez Abreu, Valéria Laneuville Teixeira, Helena Carla Castro
Thrombosis related diseases are among the main causes of death and incapacity in the world. Despite the existence of antithrombotic agents available for therapy, they still present adverse effects like hemorrhagic risks which justify the search for new options. Recently, pachydictyol A, isopachydictyol A, and dichotomanol, three diterpenes isolated from Brazilian marine brown alga Dictyota menstrualis were identified as potent antithrombotic molecules through inhibition of thrombin, a key enzyme of coagulation cascade and a platelet agonist...
March 20, 2017: Marine Drugs
https://www.readbyqxmd.com/read/28335470/design-of-new-benzo-h-chromene-derivatives-antitumor-activities-and-structure-activity-relationships-of-the-2-3-positions-and-fused-rings-at-the-2-3-positions
#9
Rawda M Okasha, Fawzia F Alblewi, Tarek H Afifi, Arshi Naqvi, Ahmed M Fouda, Al-Anood M Al-Dies, Ahmed M El-Agrody
A series of novel 4H-benzo[h]chromenes 4, 6-11, 13, 14; 7H-benzo[h]chromeno[2,3-d]pyrimidines 15-18, 20, and 14H-benzo[h]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine derivatives 19a-e, 24 was prepared. The structures of the synthesized compounds were characterized on the basis of their spectral data. Some of the target compounds were examined for their antiproliferative activity against three cell lines; breast carcinoma (MCF-7), human colon carcinoma (HCT-116) and hepatocellular carcinoma (HepG-2). The cytotoxic behavior has been tested using MTT assay and the inhibitory activity was referenced to three standard anticancer drugs: vinblastine, colchicine and doxorubicin...
March 18, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28334963/three-and-four-dimensional-mapping-of-speech-and-language-in-patients-with-epilepsy
#10
Yasuo Nakai, Jeong-Won Jeong, Erik C Brown, Robert Rothermel, Katsuaki Kojima, Toshimune Kambara, Aashit Shah, Sandeep Mittal, Sandeep Sood, Eishi Asano
We have provided 3-D and 4D mapping of speech and language function based upon the results of direct cortical stimulation and event-related modulation of electrocorticography signals. Patients estimated to have right-hemispheric language dominance were excluded. Thus, 100 patients who underwent two-stage epilepsy surgery with chronic electrocorticography recording were studied. An older group consisted of 84 patients at least 10 years of age (7367 artefact-free non-epileptic electrodes), whereas a younger group included 16 children younger than age 10 (1438 electrodes)...
March 16, 2017: Brain: a Journal of Neurology
https://www.readbyqxmd.com/read/28334702/in-vitro-antibacterial-activity-of-7-substituted-6-fluoroquinolone-and-7-substituted-6-8-difluoroquinolone-derivatives
#11
Socorro Leyva-Ramos, Denisse de Loera, Jaime Cardoso-Ortiz
BACKGROUND: Fluoroquinolones are widely prescribed synthetic antimicrobial agents. Quinolones act by converting their targets, gyrase and topoisomerase IV, into toxic enzymes that fragment the bacterial chromosome; the irreversible DNA damage eventually causes the killing of bacteria. Thorough knowledge of the structure-activity relationship of quinolones is essential for the development of new drugs with improved activity against resistant strains. METHODS: The compounds were screened for their antibacterial activity against 4 representing strains using the Kirby-Bauer disk diffusion method...
March 24, 2017: Chemotherapy
https://www.readbyqxmd.com/read/28334521/organocatalyzed-synthesis-of-oleochemical-carbonates-from-co2-and-renewables
#12
Hendrik Büttner, Johannes Steinbauer, Christoph Wulf, Mehmet Dindaroglu, Hans-Günther Schmalz, Thomas Werner
Bifunctional phosphorus-based organocatalysts proved to be highly efficient for the atom-economic reaction of CO2 and epoxidized oleochemicals. Notably, those products are obtained from CO2 and renewable feedstocks only. Structure-activity relationships have been deduced from a screening of 22 organocatalysts in a test reaction. Bifunctional catalysts based on a phosphonium salt bearing a simple phenolic moiety proved to be extraordinarily active under comparatively mild and solvent-free reaction conditions...
March 22, 2017: ChemSusChem
https://www.readbyqxmd.com/read/28334078/relationships-between-morphologic-and-functional-patterns-in-the-polymicrogyric-cortex
#13
Matteo Lenge, Carmen Barba, Domenico Montanaro, Gayane Aghakhanyan, Francesca Frijia, Renzo Guerrini
Polymicrogyria is a malformation of cortical folding and layering underlying different cognitive and neurological manifestations. The polymicrogyric cortex has heterogeneous morphofunctional patterns, qualitatively described at magnetic resonance imaging (MRI) by variable severity gradients and functional activations. We investigated the link between abnormal cortical folding and cortical function in order to improve surgical planning for patients with polymicrogyria and intractable epilepsy. We performed structural and functional MRI on 14 patients with perisylvian polymicrogyria and adopted surface-based methods to detect alterations of cortical thickness (CT) and local gyrification index (LGI) compared with normal cortex (30 age-matched subjects)...
February 18, 2017: Cerebral Cortex
https://www.readbyqxmd.com/read/28334019/cell-survival-and-differentiation-with-nanocrystalline-glass-like-carbon-using-substantia-nigra-dopaminergic-cells-derived-from-transgenic-mouse-embryos
#14
Noela Rodriguez-Losada, Pablo Romero, Guillermo Estivill-Torrús, Roberto Guzmán de Villoria, Jose A Aguirre
Regenerative medicine requires, in many cases, physical supports to facilitate appropriate cellular architecture, cell polarization and the improvement of the correct differentiation processes of embryonic stem cells, induced pluripotent cells or adult cells. Because the interest in carbon nanomaterials has grown within the last decade in light of a wide variety of applications, the aim of this study was to test and evaluate the suitability and cytocompatibility of a particular nanometer-thin nanocrystalline glass-like carbon film (NGLC) composed of curved graphene flakes joined by an amorphous carbon matrix...
2017: PloS One
https://www.readbyqxmd.com/read/28333589/a-unified-theory-of-neuro-mri-data-shows-scale-free-nature-of-connectivity-modes
#15
Vitaly L Galinsky, Lawrence R Frank
A primary goal of many neuroimaging studies that use magnetic resonance imaging (MRI) is to deduce the structure-function relationships in the human brain using data from the three major neuro-MRI modalities: high-resolution anatomical, diffusion tensor imaging, and functional MRI. To date, the general procedure for analyzing these data is to combine the results derived independently from each of these modalities. In this article, we develop a new theoretical and computational approach for combining these different MRI modalities into a powerful and versatile framework that combines our recently developed methods for morphological shape analysis and segmentation, simultaneous local diffusion estimation and global tractography, and nonlinear and nongaussian spatial-temporal activation pattern classification and ranking, as well as our fast and accurate approach for nonlinear registration between modalities...
March 23, 2017: Neural Computation
https://www.readbyqxmd.com/read/28333338/drug-discovery-for-male-subfertility-using-high-throughput-screening-a-new-approach-to-an-unsolved-problem
#16
Sarah J Martins da Silva, Sean G Brown, Keith Sutton, Louise V King, Halil Ruso, David W Gray, Paul G Wyatt, Mark C Kelly, Christopher L R Barratt, Anthony G Hope
STUDY QUESTION: Can pharma drug discovery approaches be utilized to transform investigation into novel therapeutics for male infertility? SUMMARY ANSWER: High-throughput screening (HTS) is a viable approach to much-needed drug discovery for male factor infertility. WHAT IS KNOWN ALREADY: There is both huge demand and a genuine clinical need for new treatment options for infertile men. However, the time, effort and resources required for drug discovery are currently exorbitant, due to the unique challenges of the cellular, physical and functional properties of human spermatozoa and a lack of appropriate assay platform...
March 16, 2017: Human Reproduction
https://www.readbyqxmd.com/read/28333289/the-role-of-daf-21-hsp90-in-mouth-form-plasticity-in-pristionchus-pacificus
#17
Bogdan Sieriebriennikov, Gabriel V Markov, Hanh Witte, Ralf J Sommer
Phenotypic plasticity is increasingly recognized to facilitate adaptive change in plants and animals, including insects, nematodes and vertebrates. Plasticity can occur as continuous or discrete (polyphenisms) variation. In social insects, e.g. in ants, some species have workers of distinct size classes while in other closely related species variation in size may be continuous. Despite the abundance of examples in nature, how discrete morphs are specified remains currently unknown. In theory, polyphenisms might require robustness, whereby the distribution of morphologies would be limited by the same mechanisms that execute buffering from stochastic perturbations, a function attributed to heat-shock proteins of the Hsp90 family...
March 13, 2017: Molecular Biology and Evolution
https://www.readbyqxmd.com/read/28333244/the-retro-rectus-prosthesis-for-core-myofascial-restoration-in-cosmetic-abdominoplasty
#18
Sheldon M Lincenberg
Background: The retro-rectus placement of a prosthesis for reinforcement of a hernia repair is a powerful surgical maneuver and results in reduced hernia recurrence rates in the absence of ventral hernia. Fascial reinforcement theoretically should improve columnar support to the spine and enhance athletic activity. The purpose of this study was to demonstrate the long-term efficacy of the restoration of the cylindrical lumbar abdominal myofascial complex as an adjunct to cosmetic abdominoplasty...
February 24, 2017: Aesthetic Surgery Journal
https://www.readbyqxmd.com/read/28333112/synthesis-and-cytotoxicity-of-n-substituted-dibenzo-a-j-xanthene-3-11-dicarboxamide-derivatives
#19
Yongbin Song, Yihui Yang, Lijun Wu, Naiwei Dong, Shang Gao, Hongrui Ji, Xia Du, Bo Liu, Guoyou Chen
In order to study the structure-activity relationships of xanthene derivatives, four series of N-substituted 14-aryl-14H-dibenzo[a,j]xanthene-3,11-dicarboxamide derivatives were synthesized. The structures of all compounds were identified by ¹H-NMR, HR-MS and IR spectra, in which compounds 6a-h were further identified by (13)C-NMR spectra. The in vitro antitumor activity of the synthesized compounds was tested by MTT assay. Most of them displayed strong inhibitory activity on human hepatocellular carcinoma cell lines (SK-HEP-1, HepG2 and SMMC-7721 cells) and acute promyelocytic leukemia NB4 cells...
March 23, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28333079/marine-cyclic-guanidine-alkaloids-monanchomycalin-b-and-urupocidin-a-act-as-inhibitors-of-trpv1-trpv2-and-trpv3-but-not-trpa1-receptors
#20
Yuliya Korolkova, Tatyana Makarieva, Kseniya Tabakmakher, Larisa Shubina, Ekaterina Kudryashova, Yaroslav Andreev, Irina Mosharova, Hyi-Seung Lee, Yeon-Ju Lee, Sergey Kozlov
Marine sponges contain a variety of low-molecular-weight compounds including guanidine alkaloids possessing different biological activities. Monanchomycalin B and urupocidin A were isolated from the marine sponge Monanchora pulchra. We found that they act as inhibitors of the TRPV1, TRPV2, and TRPV3 channels, but are inactive against the TRPA1 receptor. Monanchomycalin B is the most active among all published marine alkaloids (EC50 6.02, 2.84, and 3.25 μM for TRPV1, TRPV2, and TRPV3, correspondingly). Moreover, monanchomycalin B and urupocidin A are the first samples of marine alkaloids affecting the TRPV2 receptor...
March 23, 2017: Marine Drugs
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