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https://www.readbyqxmd.com/read/29220793/design-synthesis-and-biological-evaluation-of-novel-highly-selective-polo-like-kinase-2-inhibitors-based-on-the-tetrahydropteridin-chemical-scaffold
#1
Mei-Miao Zhan, Yang Yang, Jinfeng Luo, Xing-Xing Zhang, Xuan Xiao, Shiyu Li, Kai Cheng, Zhouling Xie, Zhengchao Tu, Chenzhong Liao
Polo-like kinase 2 (Plk2) is a potential target for the treatment of cancer, which displays an important role in tumor cell proliferation and survival. In this report, according to the analysis of critical amino acid residue differences among Plk1, Plk2 and Plk3, and structure-based drug design strategies, two novel series of selective Plk2 inhibitors based on tetrahydropteridin chemical scaffold were designed and synthesized to target two specific residues, Lys86 and Tyr161 of Plk2. All compounds were evaluated for their inhibitory activity against Plk1-Plk3 and the cellular inhibition activity on six different human cancer cell lines...
November 23, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29220792/4-quinolone-derivatives-and-their-activities-against-gram-positive-pathogens
#2
Gui-Fu Zhang, Shu Zhang, Baofeng Pan, Xiaofeng Liu, Lian-Shun Feng
Gram-positive bacteria are responsible for a broad range of infectious diseases, and the emergency and wide spread of drug-resistant Gram-positive pathogens including MRSA and MRSE has caused great concern throughout the world. 4-Quinolones which are exemplified by fluoroquinolones are mainstays of chemotherapy against various bacterial infections including Gram-positive pathogen infections, and their value and role in the treatment of bacterial infections continues to expand. However, the resistance of Gram-positive organisms to 4-quinolones develops rapidly and spreads widely, making them more and more ineffective...
November 29, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29220788/recent-discovery-of-indoleamine-2-3-dioxygenase-1-inhibitors-targeting-cancer-immunotherapy
#3
Tianwei Weng, Xiaqiu Qiu, Jubo Wang, Zhiyu Li, Jinlei Bian
There has been great attention on indoleamine-2,3-dioxygenase 1 (IDO1) around cancer immunotherapy because of its role in enabling cancers to evade the immune system. The most recent spurt of high potent IDO1 inhibitors has been driven by the solution of the increased crystal structures of inhibitors with IDO1. Though the structural information of the active site of IDO1 obtained from the crystals are quite similar, the structures of reported potent inhibitors are quite different. Besides, while thousands of bioactive small molecule inhibitors of IDO1 exist, to date, only five compounds have entered clinical trials...
December 1, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29220568/aniline-based-inhibitors-of-influenza-h1n1-virus-acting-on-hemagglutinin-mediated-fusion
#4
Rosana Leiva, Marta Barniol-Xicota, Sandra Codony, Tiziana Ginex, Evelien Vanderlinden, Marta Montes, Michael Caffrey, F Javier Luque, Lieve Naesens, Santiago Vazquez
Two series of easily accessible anilines were identified as inhibitors of influenza A virus subtype H1N1, and extensive chemical synthesis and analysis of the structure-activity relationship were performed. The compounds were shown to interfere with low pH-induced membrane fusion mediated by the H1 and H5 (group 1) hemagglutinin (HA) subtypes. A combination of virus resistance, HA interaction and molecular dynamics simulation studies elucidated the binding site of these aniline-based influenza fusion inhibitors, which significantly overlaps with the pocket occupied by some H3 HA-specific inhibitors, indicating the high relevance of this cavity for drug design...
December 8, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29220359/synthesis-of-novel-purpurealidin-analogs-and-evaluation-of-their-effect-on-the-cancer-relevant-potassium-channel-kv10-1
#5
Lien Moreels, Chinmay Bhat, Manuela Voráčová, Steve Peigneur, Hannah Goovaerts, Eero Mäki-Lohiluoma, Farrah Zahed, Luis A Pardo, Jari Yli-Kauhaluoma, Paula Kiuru, Jan Tytgat
In the search for novel anticancer drugs, the potassium channel KV10.1 has emerged as an interesting cancer target. Here, we report a new group of KV10.1 inhibitors, namely the purpurealidin analogs. These alkaloids are produced by the Verongida sponges and are known for their wide variety of bioactivities. In this study, we describe the synthesis and characterization of 27 purpurealidin analogs. Structurally, bromine substituents at the central phenyl ring and a methoxy group at the distal phenyl ring seem to enhance the activity on KV10...
2017: PloS One
https://www.readbyqxmd.com/read/29218635/long-range-paramagnetic-nmr-data-can-provide-a-closer-look-on-metal-coordination-in-metalloproteins
#6
Linda Cerofolini, Tommaso Staderini, Stefano Giuntini, Enrico Ravera, Marco Fragai, Giacomo Parigi, Roberta Pierattelli, Claudio Luchinat
Paramagnetic NMR data can be profitably incorporated in structural refinement protocols of metalloproteins or metal-substituted proteins, mostly as distance or angle restraints. However, they could in principle provide much more information, because the magnetic susceptibility of a paramagnetic metal ion is largely determined by its coordination sphere. This information can in turn be used to evaluate changes occurring in the coordination sphere of the metal when ligands (e.g.: inhibitors) are bound to the protein...
December 7, 2017: Journal of Biological Inorganic Chemistry: JBIC
https://www.readbyqxmd.com/read/29218520/design-synthesis-and-evaluation-of-glut-inhibitors
#7
Carlotta Granchi, Tiziano Tuccinardi, Filippo Minutolo
The Warburg effect describes how most cancer cells exhibit higher-than-normal glucose consumption, not only under hypoxic conditions, but also when normal oxygen levels are present. Although glucose transporter 1 (GLUT1) has been found to play a key role in the cellular uptake of glucose, especially in cancer cells, where it is generally overexpressed, it has not been given consideration as a suitable target for the development of anticancer drugs. In this chapter, an example of molecular design and realization of novel GLUT1 inhibitors, including in silico modeling, chemical synthesis, and biological characterization, is provided...
2018: Methods in Molecular Biology
https://www.readbyqxmd.com/read/29218506/in-silico-discovery-of-novel-ligands-for-antimicrobial-lipopeptides-for-computer-aided-drug-design
#8
REVIEW
Satya Eswari Jujjavarapu, Swasti Dhagat
The increase in antibiotic-resistant strains of pathogens has created havoc worldwide. These antibiotic-resistant pathogens require potent drugs for their inhibition. Lipopeptides, which are produced as secondary metabolites by many microorganisms, have the ability to act as potent safe drugs. Lipopeptides are amphiphilic molecules containing a lipid chain bound to the peptide. They exhibit broad-spectrum activities against both bacteria and fungi. Other than their antimicrobial properties, they have displayed anti-cancer properties as well, but their mechanism of action is not understood...
December 7, 2017: Probiotics and Antimicrobial Proteins
https://www.readbyqxmd.com/read/29218481/concepts-for-a-therapeutic-prolongation-of-nephrogenesis-in-preterm-and-low-birth-weight-babies-must-correspond-to-structural-functional-properties-in-the-nephrogenic-zone
#9
REVIEW
Will W Minuth
Numerous investigations are dealing with anlage of the mammalian kidney and primary development of nephrons. However, only few information is available about the last steps in kidney development leading at birth to a downregulation of morphogen activity in the nephrogenic zone and to a loss of stem cell niches aligned beyond the organ capsule. Surprisingly, these natural changes in the developmental program display similarities to processes occurring in the kidneys of preterm and low-birth-weight babies. Although those babies are born at a time with a principally intact nephrogenic zone and active niches, a high proportion of them suffers on impairment of nephrogenesis resulting in oligonephropathy, formation of atypical glomeruli, and immaturity of parenchyma...
December 7, 2017: Molecular and Cellular Pediatrics
https://www.readbyqxmd.com/read/29218087/the-cytoskeleton-protein-%C3%AE-actin-may-mediate-t-cell-apoptosis-during-acute-rejection-reaction-after-liver-transplantation-in-a-rat-model
#10
Xiaolong Chen, Jun Zheng, Jianye Cai, Hui Li, Shihui Li, Li Wang, Daorou Cheng, Huaxin Chen, Yang Yang, Guihua Chen, Qi Zhang, Yanwen Peng, Qiyou Wang, Genshu Wang
Cytoskeletal proteins and associated regulatory proteins are essential for maintaining cell structure and growth. β-actin is a major component of the cytoskeleton, and β-actin remodeling is involved in lymphocyte migration, infiltration and apoptosis. However, little is known about whether changes in β-actin expression affect lymphocyte cell fate, particularly during acute rejection after liver transplantation in a rat model. In our studies, grafts were harvested on days 5, 7 or 9 after xenogeneic rat liver transplantation...
2017: American Journal of Translational Research
https://www.readbyqxmd.com/read/29217936/utilization-of-primary-health-care-services-in-jaba-local-government-area-of-kaduna-state-nigeria
#11
Agofure Otovwe, Sarki Elizabeth
Background: Primary health care was designed to provide accessible health care for all. However, most primary health care facilities are in various states of disrepair, catering for less than 20% of potential patients in the population. This study was designed to investigate the utilisation of primary health care services in Jaba Local Government Area of Kaduna State Nigeria. Methods: The study employed a cross-sectional study design conducted among 383 respondents utilising simple random sampling techniques...
July 2017: Ethiopian Journal of Health Sciences
https://www.readbyqxmd.com/read/29217656/anti-inflammatory-effects-of-omega-3-fatty-acids-in-the-brain-physiological-mechanisms-and-relevance-to-pharmacology
#12
REVIEW
Sophie Layé, Agnès Nadjar, Corinne Joffre, Richard P Bazinet
Classically, polyunsaturated fatty acids (PUFA) were largely thought to be relatively inert structural components of brain, largely important for the formation of cellular membranes. Over the past 10 years, a host of bioactive lipid mediators that are enzymatically derived from arachidonic acid, the main n-6 PUFA, and docosahexaenoic acid, the main n-3 PUFA in the brain, known to regulate peripheral immune function, have been detected in the brain and shown to regulate microglia activation. Recent advances have focused on how PUFA regulate the molecular signaling of microglia, especially in the context of neuroinflammation and behavior...
January 2018: Pharmacological Reviews
https://www.readbyqxmd.com/read/29217201/expression-and-purification-of-the-human-epidermal-growth-factor-receptor-extracellular-domain
#13
Linpeng Wang, Jing Yan, Jingyun Yan, Huanhuan Xu, Dengyang Zhang, Xuanjun Wang, Jun Sheng
In the fields of drug discovery and protein science, small quantities of proteins are always needed to investigate or validate protein-protein (or protein-small molecule) interactions. Traditional transient or stable expression method to obtain recombinant proteins in eukaryotic systems can be laborious and time-consuming, especially when multiple protein variants are required. Here, we present a fast and convenient method for obtaining small quantities of recombinant human epidermal growth factor receptor (rhEGFR) ectodomain protein, which could be efficiently extended to the expression of other eukaryotic proteins...
December 4, 2017: Protein Expression and Purification
https://www.readbyqxmd.com/read/29217181/enhancement-of-intrinsic-fluorescence-of-human-carbonic-anhydrase-ii-upon-topiramate-binding-some-evidence-for-drug-induced-molecular-contraction-of-the-protein
#14
Sirous Ghobadi, Mohammad Reza Ashrafi-Kooshk, Hamid Mahdiuni, Reza Khodarahmi
In this report, the effect of topiramate (TPM), an anticonvulsant sulfamate drug, on the structure of human carbonic anhydrase II (hCA II) was investigated by spectroscopic techniques. The intrinsic fluorescence experiments indicated that TPM binding causes enhancement of enzyme fluorescence via decreasing the internal quenching and energy transfer efficiency, the result supported by molecular dynamics simulation. Thermodynamic analysis of the binding process suggested that hydrogen bonding and van der Waals interactions are the major forces in the interaction of TPM with hCA II...
December 4, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29217158/evidence-based-traditional-anti-diarrheal-medicinal-plants-and-their-phytocompounds
#15
REVIEW
Pooja Rawat, Pawan Kumar Singh, Vipin Kumar
Traditional medicines are an integral component of alternative health care systems used by millions of the people worldwide. Traditionally used herbals are multi-constituent medications, safety and efficacy of which is based on experiences of the practitioners, whereas modern drugs are single molecules, rigorously tested, structurally optimized and toxicologically cleared. Plants are being recognized as potential source of drug discovery and more than 80% of modern drugs are derived directly from natural sources (plants, microbes, cells etc...
December 4, 2017: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
https://www.readbyqxmd.com/read/29216988/catheter-ablation-of-ventricular-tachycardia-in-structural-heart-disease-indications-strategies-and-outcomes-part-ii
#16
REVIEW
Srinivas R Dukkipati, Jacob S Koruth, Subbarao Choudry, Marc A Miller, William Whang, Vivek Y Reddy
In contrast to ventricular tachycardia (VT) that occurs in the setting of a structurally normal heart, VT that occurs in patients with structural heart disease carries an elevated risk for sudden cardiac death (SCD), and implantable cardioverter-defibrillators (ICDs) are the mainstay of therapy. In these individuals, catheter ablation may be used as adjunctive therapy to treat or prevent repetitive ICD therapies when antiarrhythmic drugs are ineffective or not desired. However, certain patients with frequent premature ventricular contractions (PVCs) or VT and tachycardiomyopathy should be considered for ablation before ICD implantation because left ventricular function may improve, consequently decreasing the risk of SCD and obviating the need for an ICD...
December 12, 2017: Journal of the American College of Cardiology
https://www.readbyqxmd.com/read/29216714/fabrication-of-hyperbranched-block-statistical-copolymer-based-prodrug-with-dual-sensitivities-for-controlled-release
#17
Luping Zheng, Yunfei Wang, Xianshuo Zhang, Liwei Ma, Baoyan Wang, Xiangling Ji, Hua Wei
Dendrimer with hyperbranched structure and multivalent surface is regarded as one of the most promising candidates close to the ideal drug delivery systems, but the clinical translation and scale-up production of dendrimer has been hampered significantly by the synthetic difficulties. Therefore there is considerable scope for the development of novel hyperbranched polymer that can not only address the drawbacks of dendrimer but maintain its advantages. The reversible addition-fragmentation chain transfer self-condensing vinyl polymerization (RAFT-SCVP) technique has enabled facile preparation of segmented hyperbranched polymer (SHP) by using chain transfer monomer (CTM)-based double-head agent during the past decade...
December 7, 2017: Bioconjugate Chemistry
https://www.readbyqxmd.com/read/29216252/global-computational-mutagenesis-provides-a-critical-stability-framework-in-protein-structures
#18
Caitlyn L McCafferty, Yuri V Sergeev
A protein's amino acid sequence dictates the folds and final structure the macromolecule will form. We propose that by identifying critical residues in a protein's atomic structure, we can select a critical stability framework within the protein structure essential to proper protein folding. We use global computational mutagenesis based on the unfolding mutation screen to test the effect of every possible missense mutation on the protein structure to identify the residues that cannot tolerate a substitution without causing protein misfolding...
2017: PloS One
https://www.readbyqxmd.com/read/29216208/antiretroviral-therapy-as-a-risk-factor-for-chronic-kidney-disease-results-from-traditional-regression-modeling-and-causal-approach-in-a-large-observational-study
#19
Lise Cuzin, Pascal Pugliese, Clotilde Allavena, David Rey, Catherine Chirouze, Firouzé Bani-Sadr, André Cabié, Thomas Huleux, Isabelle Poizot-Martin, Laurent Cotte, Corinne Isnard Bagnis, Philippe Flandre
OBJECTIVE: We investigated whether patients receiving selected antiretroviral combinations had a higher risk of chronic kidney disease (CKD) using traditional regression modeling and a causal approach in a large prospective cohort. PATIENTS AND METHODS: For the purpose of this study, we selected 6301 patients who (i) started their first antiretroviral regimen after 1st January 2004, (ii) had at least one serum creatinine measurement within 6 months before ART initiation (study entry), and (iii) had at least two measurements after study entry...
2017: PloS One
https://www.readbyqxmd.com/read/29216206/the-psychometric-properties-of-a-shortened-dutch-version-of-the-consequences-scale-used-in-the-core-alcohol-and-drug-survey
#20
Sara De Bruyn, Edwin Wouters, Koen Ponnet, Joris Van Damme, Guido Van Hal
BACKGROUND: Alcohol and drug misuse among college students has been studied extensively and has been clearly identified as a public health problem. Within more general populations alcohol misuse remains one of the leading causes of disease, disability and death worldwide. Conducting research on alcohol misuse requires valid and reliable instruments to measure its consequences. One scale that is often used is the consequences scale in the Core Alcohol and Drug Survey (CADS). However, psychometric studies on the CADS are rare and the ones that do exist report varying results...
2017: PloS One
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