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https://www.readbyqxmd.com/read/28544873/3d-qsar-studies-of-some-reversible-acetyl-cholinesterase-inhibitors-based-on-comfa-and-ligand-protein-interaction-fingerprints-using-pc-ls-svm-and-pls-ls-svm
#1
Hamidreza Ghafouri, Mohsen Ranjbar, Amirhossein Sakhteman
A great challenge in medicinal chemistry is to develop different methods for structural design based on the pattern of the previously synthesized compounds. In this study two different QSAR methods were established and compared for a series of piperidine acetylcholinesterase inhibitors. In one novel approach, PC-LS-SVM and PLS-LS-SVM was used for modeling 3D interaction descriptors, and in the other method the same nonlinear techniques were used to build QSAR equations based on field descriptors. Different validation methods were used to evaluate the models and the results revealed the more applicability and predictive ability of the model generated by field descriptors (Q(2)LOO-CV=1, R(2)ext=0...
May 10, 2017: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/28544857/new-treatment-directions-for-ipf-current-status-of-ongoing-and-upcoming-clinical-trials
#2
Francesco Macagno, Francesco Varone, Paolo Maria Leone, Pier-Valerio Mari, Loredana Panico, Ludovica Berardini, Luca Richeldi
The main objective of this review is to explore the wide and expanding field of new clinical trials in IPF. Recent trials have confirmed the efficacy of the approved drugs pirfenidone and nintedanib; nonetheless, the discovery of new biological pathways has opened new horizons in this field. Areas Covered: New strategies against matrix deposition are under study and so is for the role of immunity and autoimmunity. Recent advances in the use of stem cells are opening new possibilities for the recovery of damaged lung tissues...
May 25, 2017: Expert Review of Respiratory Medicine
https://www.readbyqxmd.com/read/28544359/discovery-of-potent-carbonic-anhydrase-acetylcholinesterase-and-butyrylcholinesterase-enzymes-inhibitors-the-new-amides-and-thiazolidine-4-ones-synthesized-on-an-acetophenone-base
#3
Parham Taslimi, Sabiya Osmanova, İlhami Gulçin, Sabira Sardarova, Vagif Farzaliyev, Afsun Sujayev, Ruya Kaya, Fatma Koc, Sukru Beydemir, Saleh H Alwasel, Omer Irfan Kufrevioglu
Compounds containing nitrogen and sulfur atoms can be widely used in various fields, including industry, medicine, biotechnology, and chemical technology. Among them, amides of acids and heterocyclic compounds have an important place. These amides and thiazolidine-4-ones showed good inhibitory action against butyrylcholinesterase (BChE), acetylcholinesterase (AChE), and human carbonic anhydrase isoforms. AChE exists at high concentrations in the brain and red blood cells. BChE is an important enzyme that is plentiful in the liver, and it is released into the blood in a soluble form...
May 22, 2017: Journal of Biochemical and Molecular Toxicology
https://www.readbyqxmd.com/read/28542229/thermodynamic-framework-to-assess-low-abundance-dna-mutation-detection-by-hybridization
#4
Hanny Willems, An Jacobs, Wahyu Wijaya Hadiwikarta, Tom Venken, Dirk Valkenborg, Nadine Van Roy, Jo Vandesompele, Jef Hooyberghs
The knowledge of genomic DNA variations in patient samples has a high and increasing value for human diagnostics in its broadest sense. Although many methods and sensors to detect or quantify these variations are available or under development, the number of underlying physico-chemical detection principles is limited. One of these principles is the hybridization of sample target DNA versus nucleic acid probes. We introduce a novel thermodynamics approach and develop a framework to exploit the specific detection capabilities of nucleic acid hybridization, using generic principles applicable to any platform...
2017: PloS One
https://www.readbyqxmd.com/read/28541383/the-technology-crisis-in-neuropsychology
#5
Justin B Miller, William B Barr
Neuropsychology has fallen reliant on outdated and labor intensive methods of data collection that are slow, highly inefficient, and expensive, and provide relatively data-poor estimates of human behavior despite rapid technological advance in most other fields of medicine. Here we present a brief historical overview of current testing practices in an effort to frame the current crisis, followed by an overview of different settings in which technology can and should be integrated. Potential benefits of laboratory based assessments, remote assessments, as well as passive and high-frequency data collection tools rooted in technology are discussed, along with several relevant examples and how these technologies might be deployed...
May 24, 2017: Archives of Clinical Neuropsychology: the Official Journal of the National Academy of Neuropsychologists
https://www.readbyqxmd.com/read/28539163/a-quantitative-comparison-of-anti-m%C3%A3-llerian-hormone-measurement-and-its-shifting-boundaries-between-two-assays
#6
A C de Kat, F J M Broekmans, A C van Westing, E Lentjes, W M M Verschuren, Y T van der Schouw
OBJECTIVE: Anti-Müllerian hormone (AMH), a quantitative marker of ovarian reserve, is used for both clinical and research purposes in the field of reproductive medicine. Numerous AMH assays have been developed. Among other factors, the lack of large-scale comparisons of the various assays hinders the universal interpretation of AMH levels. Moreover, little is known of the practical performance of highly sensitive assays compared with conventional assays with regard to the very low AMH levels found in women nearing menopause...
July 2017: Maturitas
https://www.readbyqxmd.com/read/28539080/keeping-candles-lit-the-role-of-concierge-medicine-in-the-future-of-primary-care
#7
Rocco Palumbo
Universal coverage and financial sustainability are two competing aims in primary care. Patient empowerment and patient engagement have been suggested as essential ingredients of the recipe for innovative primary care models aimed at sustaining universal coverage. Concierge medicine is achieving a growing popularity among both scholars and practitioners as a direct primary care practice which allows to bridge the gap between patient empowerment and patient engagement. However, ethical and legal concerns hinder the diffusion of concierge models in the current primary care practices...
May 2017: Health Services Management Research
https://www.readbyqxmd.com/read/28538206/spectroscopic-far-or-terahertz-mid-infrared-and-raman-investigation-thermal-analysis-and-biological-activity-of-piplartine
#8
Anubha Srivastava, T Karthick, B D Joshi, Rashmi Mishra, Poonam Tandon, A P Ayala, Javier Ellena
Research in the field of medicinal plants including Piper species like long pepper (Piper longum L.- Piperaceae) is increasing all over the world due to its use in traditional and Ayurvedic medicine. Piplartine (piperlongumine, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone), a biologically active alkaloid/amide was isolated from the phytochemical investigations of Piper species, as long pepper. This alkaloid has cytotoxic, anti-fungal, anti-diabetic, anti-platelet aggregation, anti-tumoral, anxiolytic, anti-depressant, anti-leishmanial, and genotoxic activities, but, its anticancer property is the most promising and has been widely explored...
May 5, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28537738/a-peptoid-square-helix-via-synergistic-control-of-backbone-dihedral-angles
#9
Benjamin Craig Gorske, Emily M Mumford, Charles G Gerrity, Imelda Ko
The continued expansion of the fields of macromolecular chemistry and nanoscience has motivated the development of new secondary structures that can serve as architectural elements of innovative materials, molecular machines, biological probes, and even commercial medicines. Synthetic foldamers are particularly attractive systems for developing such elements because they are specifically designed to facilitate synthetic manipulation and functional diversity. However, relatively few predictive design principles exist that permit both rational and modular control of foldamer secondary structure, while maintaining the capacity for facile diversification of displayed functionality...
May 24, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28537720/chromone-as-a-privileged-scaffold-in-drug-discovery-recent-advances
#10
Joana Reis, Alexandra Gaspar, Nuno Milhazes, Fernanda M Borges
The use of privileged structures in drug discovery has proven to be an effective strategy allowing the generation of innovative hits/leads and successful optimization processes. Chromone is actually recognized as a privileged structure and a valid template for the design of novel compounds with potential pharmacological interest, particularly in the field of neurodegenerative, inflammatory and infectious diseases as well as diabetes and cancer. Within this framework, this review provides the reader with a literature update following the preceding article entitled Chromone: a valid scaffold in Medicinal Chemistry...
May 24, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28537718/homochiral-metal-organic-frameworks-with-tunable-nanoscale-channel-array-and-their-enantioseparation-performance-against-chiral-diols
#11
Chao Zhuo, Yuehong Wen, Shengmin Hu, Tianlu Sheng, Ruibiao Fu, Zhenzhen Xue, Hao Zhang, Haoran Li, Jigang Yuan, Xi Chen, Xintao Wu
Enantioseparation is an integral process in the pharmaceutical industry, considering the ever-increasing demand for chiral medicine products. As a new material, porous metal-organic frameworks (MOFs) have shown their potential application in this field because their structures are easy to adjust and control. Though chiral recognition between racemic substrates and frameworks has made preliminary progress, discussions of their size-matching effects are rare. Herein with the help of channel-tunable homochiral MOFs (HMOFs), diols of different sizes have been separated in good enantiomeric excess (ee%)...
May 24, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28537466/laser-medicine-and-surgery-as-a-single-comprehensive-and-multi-disciplinary-field
#12
Mario A Trelles
No abstract text is available yet for this article.
May 24, 2017: Photomedicine and Laser Surgery
https://www.readbyqxmd.com/read/28536986/evaluation-of-anti-inflammatory-and-ulcerogenic-potential-of-zinc-ibuprofen-and-zinc-naproxen-complexes-in-rats
#13
Magdalena Jarosz, Natalia Szkaradek, Henryk Marona, Gabriel Nowak, Katarzyna Młyniec, Tadeusz Librowski
Because of numerous indications and high availability, non-steroidal anti-inflammatory drugs (NSAIDs) are among the most commonly prescribed and used medicines in the world. However, long-term therapy with and improper use of NSAIDs may lead to gastrointestinal damage. Therefore, improving the therapeutic index of the existing drugs has become a priority over the past decades. Considerable attention in the field has been concentrated on metal complexes of non-steroidal anti-inflammatory drugs. The aim of this study is to evaluate the effect of complexation with zinc on the anti-inflammatory and ulcerogenic effects of ibuprofen and naproxen after single and triple intragastric administration to rats...
May 23, 2017: Inflammopharmacology
https://www.readbyqxmd.com/read/28536932/thromboprophylaxis-in-extracorporeal-circuits-current-pharmacological-strategies-and-future-directions
#14
REVIEW
Gail M Annich, Oshri Zaulan, Megan Neufeld, Deborah Wagner, Melissa M Reynolds
The development of extracorporeal devices for organ support has been a part of medical history and progression since the late 1900s. These types of technology are primarily used and developed in the field of critical care medicine. Unfractionated heparin, discovered in 1916, has really been the only consistent form of thromboprophylaxis for attenuating or even preventing the blood-biomaterial reaction that occurs when such technologies are initiated. The advent of regional anticoagulation for procedures such as continuous renal replacement therapy and plasmapheresis have certainly removed the risks of systemic heparinization and heparin effect, but the challenges of the blood-biomaterial reaction and downstream effects remain...
May 23, 2017: American Journal of Cardiovascular Drugs: Drugs, Devices, and Other Interventions
https://www.readbyqxmd.com/read/28536366/advances-in-the-use-of-regulatory-t-cells-for-the-prevention-and-therapy-of-graft-vs-host-disease
#15
REVIEW
Reshma Ramlal, Gerhard C Hildebrandt
Regulatory T (Tregs) cells play a crucial role in immunoregulation and promotion of immunological tolerance. Adoptive transfer of these cells has therefore been of interest in the field of bone marrow and solid organ transplantation, autoimmune diseases and allergy medicine. In bone marrow transplantation, Tregs play a pivotal role in the prevention of graft-verus-host disease (GvHD). This has generated interest in using adoptive Treg cellular therapy in the prevention and treatment of GvHD. There have been several barriers to the feasibility of Treg cellular therapy in the setting of hematopoietic stem cell transplantation (HSCT) which include low Treg concentration in peripheral blood, requiring expansion of the Treg population; instability of the expanded product with loss of FoxP3 expression; and issues related to the purity of the expanded product...
May 16, 2017: Biomedicines
https://www.readbyqxmd.com/read/28536255/neuroprotective-effect-of-electroacupuncture-and-upregulation-of-hypoxia-inducible-factor-1%C3%AE-during-acute-ischaemic-stroke-in-rats
#16
Ce Li, Tingting Zhang, Kewei Yu, Hongyu Xie, Yulong Bai, Li Zhang, Yi Wu, Nianhong Wang
BACKGROUND: Acupuncture is a traditional method that has been widely used in various fields of medicine with therapeutic effect. However, evidence of effectiveness to support the application of electroacupuncture (EA) during the process of ischaemia is scarce. OBJECTIVES: To investigate dynamic changes in hypoxia-inducible factor (HIF)-1α expression as well as its association with neurological status in rats subjected to acute ischaemic stroke and EA intervention...
May 23, 2017: Acupuncture in Medicine: Journal of the British Medical Acupuncture Society
https://www.readbyqxmd.com/read/28535467/molecular-approaches-to-the-diagnosis-and-monitoring-of-production-diseases-in-pigs
#17
REVIEW
Timothy A Giles, Aouatif Belkhiri, Paul A Barrow, Neil Foster
Production disease in pigs is caused by a variety of different pathogens, mainly enteric and respiratory and can result in significant economic loss. Other factors such as stress, poor husbandry and nutrition can also contribute to an animal's susceptibility to disease. Molecular biomarkers of production disease could be of immense value by improving diagnosis and risk analysis to determine best practice with an impact on increased economic output and animal welfare. In addition to the use of multiplex PCR or microarrays to detect individual or mixed pathogens during infection, these technologies can also be used to monitor the host response to infection via gene expression...
May 17, 2017: Research in Veterinary Science
https://www.readbyqxmd.com/read/28534765/the-animal-kingdom-is-also-a-bioengineering-field-exploring-the-art-and-science-of-vetinary-medicine-retrospectroscope
#18
Max E Valentinuzzi
Medical science developed in tandem with the evolution of biological species and their associated diseases. Because of the close interaction between humans and other animals, even those in the wild, taking care of the former also means caring for the latter. Several scientific forerunners delved into animals' anatomical and physiological secrets in their quest to better understand animal biology and functions, thereby laying the foundation for animal medicine. Here, I briefly explore the long and complex road that led to the current state of veterinary science and provide a few examples of its present standing...
May 2017: IEEE Pulse
https://www.readbyqxmd.com/read/28534757/tissue-engineering-and-regenerative-medicine-the-promise-the-challenges-the-future
#19
Leslie Mertz
Medical researchers increasingly regard tissue engineering and regenerative medicine as potential game changers when it comes to repairing damage from disease or injury and restoring function. To understand the progress made and challenges ahead for this combined field, IEEE Pulse sought out two experts: David F. Williams, former global president (2012-2015) of the Tissue Engineering and Regenerative Medicine International Society, and Roderic I. Pettigrew, founding director of the National Institute of Biomedical Imaging and Bioengineering (NIBIB) at the National Institutes of Health (NIH) [1]...
May 2017: IEEE Pulse
https://www.readbyqxmd.com/read/28534338/-application-and-development-of-patient-derived-tumor-xenograft-model-in-translational-medicine-of-tumor
#20
Zhenqiang Wang, Zhenggang Zhu
Development of novel drugs is an integral part of the translational medicine in the field of cancer research, and the construction and application of preclinical animal models play vital roles in drugs development. Patient-derived tumor xenograft models (PDX) have been shown to be more accurate in prediction of clinical outcomes of novel drugs and are being used for preclinical drug evaluation based on the fact that PDX models mostly retain the principal histologic and genetic characteristics of their donor tumor...
May 25, 2017: Zhonghua Wei Chang Wai Ke za Zhi, Chinese Journal of Gastrointestinal Surgery
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