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Current Topics in Medicinal Chemistry

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https://www.readbyqxmd.com/read/27875979/self-assembled-nucleic-acid-nanostructures-for-cancer-theranostic-medicines
#1
Jinglin Fu, Gabriele Stankeviciute, Sung Won Oh, John Collins, Yinghui Zhong, Ting Zhang
Theranostic medicine has become more promising in cancer treatment, where the cancer diagnosis and chemotherapy are combined for early diagnosis and precise treatment with improved efficacy and reduced side effects. Nanotechnology has played a critical role in developing various nanomaterials with engendered smart functions and targeted delivery. The rapid development of structural DNA nanotechnology has enabled the design and fabrication of complex nanostructures with prescribed 1D, 2D and 3D patterns in vitro and in vivo...
November 22, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27875978/near-infrared-light-responsive-polymeric-nanocomposites-for-cancer-therapy
#2
Cong Min, Xueqing Zou, Quanzhu Yang, Liqiong Liao, Guofu Zhou, Lijian Liu
Inorganic nanoparticles, which can absorb and convert near infrared (NIR) light to heat to ablate cancer cells, have been widely investigated in photothermal therapy. However, the inherent poor solubility and acute systemic toxicity of these inorganic particles hinder their application in clinical practice. Polymeric nnanocomposites materials containing both inorganic nanoparticles and polymers could be harnessed to achieve enhanced photothermal therapeutic effect as well as improved biocompatibility and multi-responsiveness...
November 22, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27875977/theranostics-based-on-iron-oxide-and-gold-nanoparticles-for-imaging-guided-photothermal-and-photodynamic-therapy-of-cancer
#3
S Rajkumar, M Prabaharan
With the progress of nanotechnology, the treatment of cancer by photothermal therapy (PTT) and photodynamic therapy (PDT) using theranostic nanomaterials based on iron oxide (Fe3O4) and gold (Au) nanoparticles (NPs) has received much attention in recent years. The Fe3O4 NPs have been used as imaging-guided PTT of cancer due to their high relaxivity, excellent contrast enhancement, and less toxicity. The Au NPs have been widely employed as a contrast agent for CT imaging of different biological systems due to their enhanced X-ray attenuation property...
November 22, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27875976/micro-nano-scale-biointerfaces-mechanical-coupling-and-cancer-therapy
#4
Xiang Li, Cuiying Liu, Peipei Chen, Dong Han
The interaction between cancer cells and their microenvironment is an indispensable link in cancer progression that occurs on the interfaces between them and presents typical biointerfacial behavior. Recently, the cancer cell/microenvironment interface has begun to attract more attention because of its fundamental roles in cancer growth and metastasis, which is promising for the efficacy of anti-cancer drugs and other important effects. In this review, we focused on mechanical coupling of the biointerfaces and their application in cancer early diagnosis, the pharmacology of anticancer agents and the design of the anticancer drug carriers...
November 22, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27875975/self-assembly-of-dna-based-nanomaterials-and-potential-application-in-drug-delivery
#5
Zhiyong Zhao, Feng Liang, Simin Liu
DNA molecules can be self-assembled into programmable two-dimensional and three-dimensional nanostructures with arbitrarily predetermined sizes and shapes. Because of the addressable arbitrary size and shape, high capacity of cargo loading, ability to be internalized by cells, structural stability in physiological conditions and excellent biocompatibility, the pristine DNA nanostructures are explored as drug vehicles in drug delivery. In addition, DNA block copolymer and DNA-Dendron hybrid, as new building blocks, can be self-assembled into various ordered structures in aqueous solution, e...
November 22, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27875974/nanoparticle-systems-modulating-myeloid-derived-suppressor-cells-for-cancer-immunotherapy
#6
Avia Wilkerson, Julian Kim, Alex Y Huang, Mei Zhang
Myeloid-derived suppressor cells (MDSCs) are a heterogeneous population of immature myeloid cells that are preferentially expanded in cancer. They arise from myeloid progenitor cells that do not differentiate into mature dendritic cells (DCs), granulocytes, or macrophages, and are rather thought to play a pivotal role in immune escape and cancer progression. MDSCs are characterized by the ability to suppress T cell proliferation and cytotoxicity, inhibit natural killer T (NKT) cell activation, and induce the differentiation and expansion of regulatory T cells (Treg)...
November 22, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27852201/a-comprehensive-docking-and-mm-gbsa-rescoring-study-of-ligand-recognition-upon-binding-antithrombin
#7
Xiaohua Zhang, Horacio Perez-Sanchez, Felice C Lightstone
A high-throughput virtual screening pipeline has been extended from single energetically minimized structure Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) rescoring to ensemble-average MM/GBSA rescoring. The correlation coefficient (R2) of calculated and experimental binding free energies for a series of antithrombin ligands has been improved from 0.36 to 0.69 when switching from the single-structure MM/GBSA rescoring to ensemble-average one. The electrostatic interactions in both solute and solvent are identified to play an important role in determining the binding free energy after the decomposition of the calculated binding free energy...
November 17, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848901/herb-medicines-against-osteoporosis-active-compounds-relevant-biological-mechanisms
#8
Lei Wu, Zhuoyan Ling, Xueqin Feng, Caiping Mao, Zhice Xu
Osteoporosis is one of common bone disorders, affecting millions of people worldwide. Treatments of osteoporosis consist of pharmacotherapy and non-pharmacological interventions, such as mineral supplementation, lifestyle changes, and exercise programs. Due to the minimum side effects and favorable cost-effective therapeutic effects, herbal medicine has been widely applied in clinical practices for more than 2,000 years in China. Of the many traditional formulas reported for treating bone diseases, 4 single herbs namely (1) Herba Epimedii, (2) Rhizoma Drynariae, (3) Fructus Psoraleae, and (4) Cortex Eucommiae, are considered as the featured "Kidney-Yang" tonics, and frequently and effectively applied for preventing and treating osteoporosis...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848900/antioxidative-effects-of-rhodiola-genus-phytochemistry-and-pharmacological-mechanisms-against-the-diseases
#9
Yongmei Li, Jue Wu, Ruixiu Shi, Na Li, Zhice Xu, Miao Sun
Rhodiola as one of traditional medicines has been used for clinical treatments due to their strong antioxidant properties. Phytochemical analysis revealed the presence of flavonoids, phenylpropanoids, phenylethanol/benzyl alcohol derivatives, cyanogenic glycosides and terpenoids. The bioactive compounds had been demonstrated to be effective at scavenging reactive oxygen species (ROS). The structures contain phenolic hydroxyl groups and unsaturated bonds. This article reviews antioxidant capacities of the extracts and bioactive components derived from Rhodiola plants...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848899/computational-modeling-approach-in-probing-effects-of-cytosine-methylation-on-the-transcription-factor-binding-to-dna
#10
John Tenayuca, Kimberley Cousins, Shumei Yang, Lubo Zhang
Cytosine methylation at CpG dinucleotides is a chief mechanism in epigenetic modification of gene expression patterns. Previous studies demonstrated that increased CpG methylation of Sp1 sites at -268 and -346 of protein kinase C  promoter repressed the gene expression. The present study investigated the impact of CpG methylation on the Sp1 binding via molecular modeling and electrophoretic mobility shift assay. Each of the Sp1 sites contain two CpGs. Methylation of either CpG lowered the binding affinity of Sp1, whereas methylation of both CpGs produced a greater decrease in the binding affinity...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848898/proteomic-analysis-of-endothelin-1-targets-in-the-regulation-of-cardiomyocyte-proliferation
#11
Alexandra N Shin, Chiranjib Dasgupta, Lubo Zhang, Guangyu Zhang, Kala Seal
Hypoxia is a fetal stressor that leads to the production of endothelin-1 (ET-1). Previous work has shown that ET-1 treatment leads to the premature terminal differentiation of fetal cardiomyocytes. However, the precise mechanism is unknown. We tested the hypothesis that the fetal cardiomyocyte proteome will be greatly altered due to ET-1-treatment, which reveals a potential molecular mechanism of ET-1-induced terminal differentiation. Over a thousand proteins were detected in the fetal cardiomyocytes and among them 75 proteins were significantly altered due to ET-1 treatment...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848897/bioinformatics-and-drug-discovery
#12
Xuhua Xia
Bioinformatic analysis can not only accelerate drug target identification and drug candidate screening and refinement, but also facilitate characterization of side effects and predict drug resistance. High-throughput data such as genomic, epigenetic, genome architecture, cistromic, transcriptomic, proteomic, and ribosome profiling data have all made significant contribution to mechanism-based drug discovery and drug repurposing. Accumulation of protein and RNA structures, as well as development of homology modeling and protein structure simulation, coupled with large structure databases of small molecules and metabolites, paved the way for more realistic protein-ligand docking experiments and more informative virtual screening...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848896/probes-and-targets-of-dna-methylation-and-demethylation-in-drug-development
#13
Barsam Mirfattah, Jason Herring, Hui Tang, Kangling Zhang
DNA methylation and demethylation is part of the essential biological processes regulating gene expression in normal cell development. Abnormal methylation status of specific genes and their irregularly translated proteins are normally associated with certain kinds of diseases or cancer. The rapid development of innovative DNA methylation mapping techniques provides a better understanding of DNA methylation pattern and its mechanisms in the human genome and its correlation with numerous diseases. These new techniques can lead us to develop new epigenetic medications, such as DNA methyltransferase inhibitors...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848895/metabolomic-approach-in-probing-drug-candidates
#14
Chen Liu, Angelo D Alessandro, Yang Xia
Metabolomics is the comprehensive characterization of endogenous small molecules metabolites, xenometabolites and their metabolisms. The recent introduction of high-throughput metabolomics approaches has fostered strides related to the capacity to in silico elaborate metabolomics data by means of system biology. Recent progresses in bioanalytical technologies assisted with algorithms enabling large-scale data analysis potentiate application of metabolomics approaches in biomarker-based disease diagnosis, therapeutic target identification, personalized medicine, and the monitoring of clinical outcomes...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848894/lncrna-as-a-therapeutic-target-for-angiogenesis
#15
Mohan Kumar M, Ravi Goyal
Out of 3 billion base pairs in human genome only ~2% code for proteins; and out of 180,000 transcripts in human cells, about 20,000 code for protein, remaining 160,000 are non-coding transcripts. Most of these transcripts are more than 200 base pairs and constitute a group of long non-coding RNA (lncRNA). Many of the lncRNA have its own promoter, and are well conserved in mammals. Accumulating evidence indicates that lncRNAs act as molecular switches in cellular differentiation, movement, apoptosis, and in the reprogramming of cell states by altering gene expression patterns...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848893/the-medicinal-chemistry-of-nitrite-as-a-source-of-nitric-oxide-signaling
#16
Arlin B Blood
Conventional understanding of nitric oxide (NO) signaling in biology is commonly based on the premise that it simply diffuses randomly from its site of production by NO synthases to its site of action or inactivation. This notion has been challenged on a systemic cardiovascular scale with the realization that NO has endocrine effects despite being unable to exist in blood for more than a few milliseconds. Investigation of this phenomenon has led to the understanding that many of the chemical pathways that consume NO may not render it inactive as once thought...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27848892/single-cell-sequencing-for-drug-discovery-and-drug-development
#17
Hongjin Wu, Charles Wang, Shixiu Wu
Next-generation sequencing (NGS), particularly single-cell sequencing, has revolutionized the scale and scope of genomic and biomedical research. Recent technological advances in NGS and single-cell studies have made the deep whole-genome (DNA-seq), whole epigenome and whole-transcriptome sequencing (RNA-seq) at single-cell level feasible. NGS at the single-cell level expands our view of genome, epigenome and transcriptome and allows the genome, epigenome and transcriptome of any organism to be explored without a priori assumptions and with unprecedented throughput...
November 16, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27823569/structural-determinants-in-the-binding-of-bb2-receptor-ligands-in-silico-x-ray-and-nmr-studies-in-pd176252-analogues
#18
Antonio Carrieri, Enza Lacivita, Benny Danilo Belviso, Rocco Caliandro, Piero Mastrorilli, Vito Gallo, Mauro Niso, Marcello Leopoldo
The mammalian bombesin receptor family comprises three G protein-coupled receptors: the neuromedin B receptor, the gastrin-releasing peptide receptor (BB2), and the bombesin receptor subtype 3. BB2 receptor plays a role in gastrointestinal functions; however, at present the role of this subtype in physiological and pathological conditions is unknown due to the lack of specific binders for all subclasses of bombesin receptors. Here, we present a study focused on the properties of the peptoid bombesin antagonist called PD176252, and other structural analogues with the aim to elucidate causes of their different affinity towards the BB2 receptor...
November 4, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27823568/pharmacological-histone-deacetylation-segregates-distinct-regulators-of-transcription
#19
Haloom Rafehi, Tom C Karagiannis, Assam El-Osta
INTRODUCTION: Histone deacetylase (HDAC) enzymes control the acetylation status of transcription factors that regulate chromatin structure and gene function. The transcriptional regulatory factors that distinguish histone acetylation and deacetylation patterns by pharmacological HDAC inhibition (HDACi) have been studied. METHODS: We analysed sequencing datasets derived from human aortic endothelial cells (HAECs) stimulated with the HDAC inhibitors, Trichostatin A (TSA) and suberoylanilide hydroxamic acid (SAHA)...
November 4, 2016: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/27823567/development-of-a-high-fundamental-frequency-hff-piezoelectric-immunosensor-for-early-and-sensitive-detection-of-tuberculosis
#20
Angel Montoya, Carmen March, Yeison J Montagut, María J Moreno, Juan J Manclús, Antonio Arnau, Yolanda Jiménez, Marisol Jaramillo, Paula A Marín, Róbinson A Torres
Tuberculosis, one of the oldest diseases affecting human beings, is still considered as a world public health problem by the World Health Organization. Therefore, there is a need for new and more powerful analytical methods for early illness diagnosis. With this idea in mind, the development of a High Fundamental Frequency (HFF) piezoelectric immunosensor for the sensitive detection of tuberculosis was undertaken. A 38 kDa protein secreted by Mycobacterium tuberculosis was first selected as the target biomarker...
November 4, 2016: Current Topics in Medicinal Chemistry
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