keyword
MENU ▼
Read by QxMD icon Read
search

Drug diversion

keyword
https://www.readbyqxmd.com/read/29792805/a-cheminformatic-insight-into-the-differences-between-terrestrial-and-marine-originated-natural-products
#1
Jun Shang, Ben Hu, Junmei Wang, Feng Zhu, Yu Kang, Dan Li, Huiyong Sun, De-Xin Kong, Tingjun Hou
This is a new golden age for the drug discovery based on natural products derived from both marine and terrestrial sources. Herein, a straightforward but important question is what are the major structural differences between marine natural products (MNPs) and terrestrial natural products (TNPs). To answer this question, we analyzed the important physicochemical properties, structural features and drug-likeness of the two types of natural products and discussed their differences from the perceptive of evolution...
May 24, 2018: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/29792562/combined-effects-and-cross-interactions-of-different-antibiotics-and-polypeptides-in-salmonella-bredeney
#2
Xiangyu Ju, Mengjiao Zhu, Jinzhi Han, Zhaoxin Lu, Haizhen Zhao, Xiaomei Bie
Salmonella spp. are health-threatening foodborne pathogens. The increasingly common spread of antibiotic-resistant Salmonella spp. is a major public healthcare issue worldwide. In this study, we wished to explore (1) antibiotic or polypeptide combinations to inhibit multidrug-resistant Salmonella bredeney and (2) the regulation of cross-resistance and collateral sensitivity of antibiotics and polypeptides. We undertook a study to select antibiotic combinations. Then, we promoted drug-resistant strains of S...
May 24, 2018: Microbial Drug Resistance: MDR: Mechanisms, Epidemiology, and Disease
https://www.readbyqxmd.com/read/29792024/metabotropic-glutamate-receptors-in-alcohol-use-disorder-physiology-plasticity-and-promising-pharmacotherapies
#3
Max E Joffe, Samuel W Centanni, Anel A Jaramillo, Danny G Winder, P Jeffrey Conn
Developing efficacious treatments for alcohol use disorder (AUD) has proven difficult. The insidious nature of the disease necessitates a deep understanding of its underlying biology as well as innovative approaches to ameliorate ethanol-related pathophysiology. Excessive ethanol-seeking and relapse are generated by long-term changes to membrane properties, synaptic physiology, and plasticity throughout the limbic system and associated brain structures. Each of these factors can be modulated by metabotropic glutamate (mGlu) receptors, a diverse set of G protein-coupled receptors highly expressed throughout the central nervous system...
May 23, 2018: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/29791874/fabrication-of-electrospun-poly-vinyl-alcohol-dextran-nanofibers-via-emulsion-process-as-drug-delivery-system-kinetics-and-in-vitro-release-study
#4
A Meera Moydeen, M Syed Ali Padusha, Eman F Aboelfetoh, Salem S Al-Deyab, Mohamed H El-Newehy
A green method was used for the fabrication of coaxial nanofibers for use in biomedical applications. Coaxial nanofiber mats were fabricated by emulsion electrospinning from poly(vinyl alcohol) (PVA) and Dextran sulfate (Dex) blends loaded with ciprofloxacin (Cipro) as a model drug dissolved in edible oil. The ratio of the PVA/Dex mixture was optimized and nanofibers were stabilized against disintegration in water by thermal treatment at 120 °C. The morphology of the prepared nanofibers was observed by scanning electron microscopy and the structure of the core-shell nanofibers was confirmed by transmission electron microscopy...
May 20, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29791608/hiv-1-genetic-diversity-and-resistance-to-antiretroviral-drugs-among-pregnant-women-in-ribeir%C3%A3-o-preto-sp-brazil-cross-sectional-study
#5
Ana Teresa Mancini Pimenta, Isadora Alonso Correa, Patricia Pereira Dos Santos Melli, Renata Abduch, Geraldo Duarte, José Carlos Couto-Fernandez, Silvana Maria Quintana
BACKGROUND: Increasing genetic diversity of HIV-1 and emergence of drug-resistant mutations may reduce the efficacy of antiretroviral therapy and prophylaxis that are used to prevent mother-to-child transmission. The aim of this study was to assess the genetic diversity and prevalence of drug-resistant mutations among HIV-infected pregnant women. DESIGN AND SETTING: Cross-sectional study at an outpatient clinic for infectious diseases within gynecology and obstetrics...
March 2018: São Paulo Medical Journal, Revista Paulista de Medicina
https://www.readbyqxmd.com/read/29790904/exploring-drug-space-with-chemmaps-com
#6
Alexandre Borrel, Nicole Kleinstreuer, Denis Fourches
Motivation: Easily navigating chemical space has become more important due to the increasing size and diversity of publicly-accessible databases such as DrugBank, ChEMBL, or Tox21. To do so, modelers typically rely on complex projection techniques using molecular descriptors computed for all the chemicals to be visualized. However, the multiple cheminformatics steps required to prepare, characterize, compute and explore those molecules, are technical, typically necessitate scripting skills, and thus represent a real obstacle for non-specialists...
May 22, 2018: Bioinformatics
https://www.readbyqxmd.com/read/29790740/organometallic-gold-iii-reagents-for-cysteine-arylation
#7
Marco S Messina, Julia M Stauber, Mary A Waddington, Arnold L Rheingold, Heather D Maynard, Alexander M Spokoyny
An efficient method for chemoselective cysteine arylation of unprotected peptides and proteins using Au(III) organometallic complexes is reported. The bioconjugation reactions proceed rapidly (<5 min) at ambient temperature in various buffers and within a wide pH range (0.5-14). This approach provides access to a diverse array of S-aryl bioconjugates including fluorescent dye, complex drug molecule, affinity label, poly(ethylene glycol) tags and a stapled peptide. A library of Au(III) arylation reagents can be prepared as air-stable, crystalline solids in one step from commercial reagents...
May 23, 2018: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29790546/dietary-fibers-prebiotics-and-exopolysaccharides-produced-by-lactic-acid-bacteria-potential-health-benefits-with-special-regard-to-cholesterol-lowering-effects
#8
REVIEW
E Korcz, Z Kerényi, L Varga
The gastrointestinal (GIT) microbiota, which plays a crucial role in human health, is influenced by a number of factors including diet. Consumption of specific dietary ingredients, such as dietary fibers and prebiotics, is an avenue by which the microbiota can be positively modulated. These substances may also reduce serum cholesterol levels through various mechanisms. Interest has increased in methods of reducing blood cholesterol level, because dyslipidemia is recognized as a contributory risk factor for the development of cardiovascular diseases...
May 23, 2018: Food & Function
https://www.readbyqxmd.com/read/29790000/o-glcnac-cycling-in-the-developing-adult-and-geriatric-brain
#9
REVIEW
Olof Lagerlöf
Hundreds of proteins in the nervous system are modified by the monosaccharide O-GlcNAc. A single protein is often O-GlcNAcylated on several amino acids and the modification of a single site can play a crucial role for the function of the protein. Despite its complexity, only two enzymes add and remove O-GlcNAc from proteins, O-GlcNAc transferase (OGT) and O-GlcNAcase (OGA). Global and local regulation of these enzymes make it possible for O-GlcNAc to coordinate multiple cellular functions at the same time as regulating specific pathways independently from each other...
May 22, 2018: Journal of Bioenergetics and Biomembranes
https://www.readbyqxmd.com/read/29789636/cypripedin-diminishes-an-epithelial-to-mesenchymal-transition-in-non-small-cell-lung-cancer-cells-through-suppression-of-akt-gsk-3%C3%AE-signalling
#10
Surassawadee Treesuwan, Boonchoo Sritularak, Pithi Chanvorachote, Varisa Pongrakhananon
Lung cancer appears to have the highest rate of mortality among cancers due to its metastasis capability. To achieve metastasis, cancer cells acquire the ability to undergo a switch from epithelial to mesenchymal behaviour, termed the epithelial-to-mesenchymal transition (EMT), which is associated with poor clinical outcomes. Drug discovery attempts have been made to find potent compounds that will suppress EMT. Cypripedin, a phenanthrenequinone isolated from Thai orchid, Dendrobium densiflorum, exhibits diverse pharmacological activities...
May 22, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29789420/glycosylation-of-recombinant-anticancer-therapeutics-in-different-expression-systems-with-emerging-technologies
#11
REVIEW
Tariq Nadeem, Mohsin Ahmad Khan, Bushra Ijaz, Nadeem Ahmed, Zia Ur Rahman, Muhammad Shahzad Latif, Qurban Ali, Muhammad Adeel Rana
Glycosylation, a posttranslational modification, has a major role in recombinant anticancer therapeutic proteins, as most of the approved recombinant therapeutics are glycoproteins. The constant amino acid sequence of therapeutics determines the enzymatic activity, while the presence of glycans influences their pharmacokinetics, solubility, distribution, serum half-life, effector function, and binding to receptors. Glycoproteins expressed in different expression systems acquire their own oligosaccharides, which increases the protein diversity...
May 22, 2018: Cancer Research
https://www.readbyqxmd.com/read/29788870/small-molecules-as-drugs-to-upregulate-metastasis-suppressors-in-cancer-cells
#12
Ka Ming Wong, Jiaxing Song, Vasu Saini, Yung H Wong
It is well-recognized that the majority of cancer-related deaths are attributed to metastasis, which can arise from virtually any type of tumor. Metastasis is a complex multistep process wherein cancer cells must break away from the primary tumor, intravasate into the circulatory or lymphatic systems, extravasate, proliferate and eventually colonize secondary sites. Since these molecular processes involve the coordinated actions of numerous proteins, targeted disruptions of key players along these pathways represent possible therapeutic interventions to impede metastasis formation and reduce cancer mortality...
May 21, 2018: Current Medicinal Chemistry
https://www.readbyqxmd.com/read/29788787/review-of-bioactive-secondary-metabolites-from-marine-bryozoans-in-the-progress-of-new-drugs-discovery
#13
Xiang Rong Tian, Hai Feng Tang, Xiao Lin Tian, Jia Jun Hu, Li Li Huang, Kirk R Gustafson
Marine bryozoans play an important role for the discovery of novel bioactive compounds among marine organisms. In this review, we summarize 164 new secondary metabolites including macrocyclic lactones, sterols, alkaloids, sphingolipids and so forth from 24 marine bryozoans in the last two decades. The structural features, bioactivity, structure-activity relationship, mechanism and strategies to address the resupply of these scarce secondary metabolites are discussed. The structural and bioactive diversity of the secondary metabolites from marine bryozoans indicated the possibility of using these compounds, especially bryostatin 1 (1), bryostatin analog (BA1), alkaloids (50, 53, 127-128 and 134-139), sphingolipids sulfates (148 and 149) and sulfur-containing aromatic compound (160), as the starting points for new drug discovery...
May 23, 2018: Future Medicinal Chemistry
https://www.readbyqxmd.com/read/29788510/predicting-drug-induced-liver-injury-using-ensemble-learning-methods-and-molecular-fingerprints
#14
Haixin Ai, Wen Chen, Li Zhang, Liangchao Huang, Zimo Yin, Huan Hu, Qi Zhao, Jian Zhao, Hongsheng Liu
Drug-induced liver injury (DILI) is a major safety concern in the drug-development process, and various methods have been proposed to predict the hepatotoxicity of compounds during the early stages of drug trials. In this study, we developed an ensemble model using three machine learning algorithms and 12 molecular fingerprints from a dataset containing 1,241 diverse compounds. The ensemble model achieved an average accuracy of 71.1±2.6%, sensitivity of 79.9±3.6%, specificity of 60.3±4.8%, and area under the receiver operating characteristic curve (AUC) of 0...
May 21, 2018: Toxicological Sciences: An Official Journal of the Society of Toxicology
https://www.readbyqxmd.com/read/29788125/toxin-antitoxin-systems-and-regulatory-mechanisms-in-mycobacterium-tuberculosis
#15
Richard A Slayden, Clinton C Dawson, Jason E Cummings
There has been a significant reduction in annual tuberculosis incidence since the World Health Organization declared tuberculosis a global health threat. However, treatment of M. tuberculosis infections requires lengthy multidrug therapeutic regimens to achieve a durable cure. The development of new drugs that are active against resistant strains and phenotypically diverse organisms continues to present the greatest challenge in the future. Numerous phylogenomic analyses have revealed that the Mtb genome encodes a significantly expanded repertoire of toxin-antitoxin (TA) loci that makes up the Mtb TA system...
June 1, 2018: Pathogens and Disease
https://www.readbyqxmd.com/read/29787834/structure-and-mechanism-of-bacterial-tripartite-efflux-pumps
#16
Arthur Neuberger, Dijun Du, Ben F Luisi
Efflux pumps are membrane proteins which contribute to multi-drug resistance. In Gram-negative bacteria, some of these pumps form complex tripartite assemblies in association with an outer membrane channel and a periplasmic fusion protein. These tripartite machineries span both membranes and the periplasmic space, and they extrude from the bacterium chemically diverse toxic substrates. In this chapter, we summarise current understanding of the structural architecture, functionality, and regulation of tripartite multi-drug efflux assemblies...
May 19, 2018: Research in Microbiology
https://www.readbyqxmd.com/read/29786873/in-vivo-profiling-of-four-centrally-administered-opioids-for-antinociception-constipation-and-respiratory-depression-between-colony-differences-in-sprague-dawley-rats
#17
A Kuo, M T Smith
Outbred rodent stocks including Sprague Dawley rats, are known for their genetic diversity and so they are often used to develop animal models of human disease. Although between-colony differences in pharmaco-behavioural studies have been published previously, a direct head-to-head comparison study, whereby all research was performed in the same laboratory by the same experimenter utilising the supraspinal route of drug administration in the same strain of rat, is lacking. Herein, we report our head-to-head comparison study, involving assessment of antinociception, constipation and respiratory depression evoked by single bolus intracerebroventricular (ICV) doses of morphine, buprenorphine, DPDPE and U69,593 using male Sprague Dawley rats sourced from a different breeding colony (BC2) from that (BC1) used by us previously...
May 22, 2018: Clinical and Experimental Pharmacology & Physiology
https://www.readbyqxmd.com/read/29786716/unexpected-protonation-state-of-glu197-discovered-from-simulations-of-tacrine-in-butyrylcholinesterase
#18
Xiao Wan, Yuan Yao, Lei Fang, Junjun Liu
Butyrylcholinesterase (BChE) has been actively involved in drug discoveries from many fields for decades. In the crystal structure of the BChE-tacrine complex, there is an unanticipated formyl-proline molecule resolved very close to tacrine, raising an essential question on how reliable it is to apply the binding pose in a crystal structure to analyze related experimental observations, in which no formyl-proline is actually involved. In this study, by performing a series of 100 ns molecular dynamics simulations, we demonstrate that it is safe to employ the structural information from this crystal structure to analyze related experimental observations...
May 22, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29786430/galaxygpcrloop-template-based-and-ab-initio-structure-sampling-of-the-extracellular-loops-of-g-protein-coupled-receptors
#19
Jonghun Won, Gyu Rie Lee, Hahnbeom Park, Chaok Seok
The second extracellular loops (ECL2s) of G-protein-coupled receptors (GPCRs) are often involved in GPCR functions, and their structures have important implications in drug discovery. However, structure prediction of ECL2 is difficult because of its long length and the structural diversity among different GPCRs. In this study, a new ECL2 conformational sampling method involving both template-based and ab initio sampling was developed. Inspired by observation of similar ECL2 structures of closely related GPCRs, a template-based sampling method employing loop structure templates selected from the structure database was developed...
May 22, 2018: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/29785479/ngspanpipe-a-pipeline-for-pan-genome-identification-in-microbial-strains-from-experimental-reads
#20
Umay Kulsum, Arti Kapil, Harpreet Singh, Punit Kaur
Recent advancements in sequencing technologies have decreased both time span and cost for sequencing the whole bacterial genome. High-throughput Next-Generation Sequencing (NGS) technology has led to the generation of enormous data concerning microbial populations publically available across various repositories. As a consequence, it has become possible to study and compare the genomes of different bacterial strains within a species or genus in terms of evolution, ecology and diversity. Studying the pan-genome provides insights into deciphering microevolution, global composition and diversity in virulence and pathogenesis of a species...
2018: Advances in Experimental Medicine and Biology
keyword
keyword
24410
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"