keyword
MENU ▼
Read by QxMD icon Read
search

Medicinal chemistry

keyword
https://www.readbyqxmd.com/read/29353730/benzopyrone-represents-a-privilege-scaffold-to-identify-novel-adenosine-a1-a2a-receptor-antagonists
#1
Mietha M van der Walt, Gisella Terre'Blanche
Adenosine receptor antagonists are under investigation as potential drug candidates for the treatment of certain cancers, neurological disorders, depression and potentially improve tumour immunotherapy. The benzo-γ-pyrone scaffold is well-known in medicinal chemistry with diverse pharmacological activities attributed to them, however, their therapeutic potential as adenosine receptor antagonists have not been investigated in detail. To expand on the structure-activity relationships, the present study explored the adenosine A1 and A2A receptor binding affinities of a selected series of benzo-γ-pyrone analogues...
January 4, 2018: Bioorganic Chemistry
https://www.readbyqxmd.com/read/29348805/synthesis-and-sar-of-1-2-3-4-tetrahydroisoquinoline-based-cxcr4-antagonists
#2
Robert J Wilson, Edgars Jecs, Eric J Miller, Huy H Nguyen, Yesim A Tahirovic, Valarie M Truax, Michelle B Kim, Katie M Kuo, Tao Wang, Chi Shing Sum, Mary E Cvijic, Anthony A Paiva, Gretchen M Schroeder, Lawrence J Wilson, Dennis C Liotta
CXCR4 is the most common chemokine receptor expressed on the surface of many cancer cell types. In comparison to normal cells, cancer cells overexpress CXCR4, which correlates with cancer cell metastasis, angiogenesis, and tumor growth. CXCR4 antagonists can potentially diminish the viability of cancer cells by interfering with CXCL12-mediated pro-survival signaling and by inhibiting chemotaxis. Herein, we describe a series of CXCR4 antagonists that are derived from (S)-5,6,7,8-tetrahydroquinolin-8-amine that has prevailed in the literature...
January 11, 2018: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/29348070/rational-approach-to-highly-potent-and-selective-apoptosis-signal-regulating-kinase-1-ask1-inhibitors
#3
Frank Lovering, Paul Morgan, Christophe Allais, Ann Aulabaugh, Joanne Brodfuehrer, Jeanne Chang, Jotham Coe, WeiDong Ding, Heather Dowty, Margaret Fleming, Richard Frisbie, Julia Guzova, David Hepworth, Jayasankar Jasti, Steve Kortum, Ravi Kurumbail, Shashi Mohan, Nikolaos Papaioannou, Joseph W Strohbach, Fabien Vincent, Katherine Lee, Christoph W Zapf
Many diseases are believed to be driven by pathological levels of reactive oxygen species (ROS) and oxidative stress has long been recognized as a driver for inflammatory disorders. Apoptosis signal-regulating kinase 1 (ASK1) has been reported to be activated by intracellular ROS and its inhibition leads to a down regulation of p38-and JNK-dependent signaling. Consequently, ASK1 inhibitors may have the potential to treat clinically important inflammatory pathologies including renal, pulmonary and liver diseases...
December 15, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29347104/visibility-graphs-of-random-scalar-fields-and-spatial-data
#4
Lucas Lacasa, Jacopo Iacovacci
We extend the family of visibility algorithms to map scalar fields of arbitrary dimension into graphs, enabling the analysis of spatially extended data structures as networks. We introduce several possible extensions and provide analytical results on the topological properties of the graphs associated to different types of real-valued matrices, which can be understood as the high and low disorder limits of real-valued scalar fields. In particular, we find a closed expression for the degree distribution of these graphs associated to uncorrelated random fields of generic dimension...
July 2017: Physical Review. E
https://www.readbyqxmd.com/read/29343532/clinical-laboratory-practice-recommendations-for-the-use-of-cardiac-troponin-in-acute-coronary-syndrome-expert-opinion-from-the-academy-of-the-american-association-for-clinical-chemistry-and-the-task-force-on-clinical-applications-of-cardiac-bio-markers-of
#5
Alan H B Wu, Robert H Christenson, Dina N Greene, Allan S Jaffe, Peter A Kavsak, Jordi Ordonez-Llanos, Fred S Apple
This document is an essential companion to the third iteration of the National Academy of Clinical Biochemistry [NACB,8 now the American Association for Clinical Chemistry (AACC) Academy] Laboratory Medicine Practice Guidelines (LMPG) on cardiac markers. The expert consensus recommendations were drafted in collaboration with the International Federation of Clinical Chemistry and Laboratory Medicine Task Force on Clinical Applications of Bio-Markers (IFCC TF-CB). We determined that there is sufficient clinical guidance on the use of cardiac troponin (cTn) testing from clinical practice groups...
January 17, 2018: Clinical Chemistry
https://www.readbyqxmd.com/read/29342358/synthesis-and-biological-characterization-of-aryl-uracil-inhibitors-of-hepatitis-c-virus-ns5b-polymerase-discovery-of-abt-072-a-trans-stilbene-analog-with-good-oral-bioavailability
#6
John Randolph, A Chris Krueger, Pamela Donner, John K Pratt, Dachun Liu, Christopher E Motter, Todd W Rockway, Mike D Tufano, Rolf Wagner, Hock B Lim, Jill M Beyer, Rubina Mondal, Neeta S Panchal, Lynn Colletti, Yaya Liu, Gennadiy Koev, Warren M Kati, Lisa E Hernandez, David W A Beno, Kenton L Longenecker, Kent D Stewart, Emily O Dumas, Akhteruzzaman Molla, Clarence Maring
ABT-072 is a non-nucleoside HCV NS5B polymerase inhibitor that was discovered as part of a program to identify new direct-acting antivirals (DAAs) for the treatment of HCV infection. This compound was identified during a medicinal chemistry effort to improve on an original lead, inhibitor 1, which we described in a previous publication. Replacement of the amide linkage in 1 with a trans-olefin resulted in improved compound permeability and solubility, and provided much better pharmacokinetic properties in preclinical species...
January 17, 2018: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29341939/the-quest-for-equivalence-of-test-results-the-pilgrimage-of-the-dutch-calibration-2-000-program-for-metrological-traceability
#7
REVIEW
Rob T P Jansen, Christa M Cobbaert, Cas Weykamp, Marc Thelen
Calibration 2.000 was initiated 20 years ago for standardization and harmonization of medical tests. The program also intended to evaluate adequate implementation of the In Vitro Diagnostics (IVD) 98/79/EC directive, in order to ensure that medical tests are fit-for-clinical purpose. The Calibration 2.000 initiative led to ongoing verification of test standardization and harmonization in the Netherlands using commutable external quality assessment (EQA)-tools and a type 1 EQA-design, where feasible. National support was guaranteed by involving all laboratory professionals as well as laboratory technicians responsible for EQA and quality officers...
January 17, 2018: Clinical Chemistry and Laboratory Medicine: CCLM
https://www.readbyqxmd.com/read/29341288/lipid-and-nucleic-acid-chemistries-combining-the-best-of-both-worlds-to-construct-advanced-biomaterials
#8
REVIEW
Julie Baillet, Valérie Desvergnes, Aladin Hamoud, Laurent Latxague, Philippe Barthélémy
Hybrid synthetic amphiphilic biomolecules are emerging as promising supramolecular materials for biomedical and technological applications. Herein, recent progress in the field of nucleic acid based lipids is highlighted with an emphasis on their molecular design, synthesis, supramolecular properties, physicochemical behaviors, and applications in the field of health science and technology. In the first section, the design and the study of nucleolipids are in focus and then the glyconucleolipid family is discussed...
January 17, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29336493/n-terminal-cu-binding-motifs-xxx-zzz-his-atcun-and-xxx-his-and-their-derivatives-chemistry-biology-and-medicinal-applications
#9
Peter Faller, Paulina Gonzalez, Karolina Bossak, Ewelina Stefaniak, Christelle Hureau, Laurent Raibaut, Wojciech Bal
Peptides and proteins with N-terminal amino acid sequences NH2-Xxx-His (XH) and NH2-Xxx-Zzz-His (XZH) form well established high affinity CuII-complexes. Key examples are Asp-Ala-His (in serum albumin) and Gly-His-Lys, the wound healing factor. This opens a straightforward way to add a high affinity CuII-binding site to almost any peptide or protein, by chemical or recombinant approaches. Thus, these motifs, NH2-Xxx-Zzz-His in particular, have been used to equip peptides and proteins with a multitude of functions based on the redox activity of Cu, including nuclease, protease, glycosidase, or oxygen activation, useful in anticancer or antimicrobial drugs...
January 16, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29335210/privileged-scaffolds-as-mao-inhibitors-retrospect-and-prospects
#10
REVIEW
Avinash C Tripathi, Savita Upadhyay, Sarvesh Paliwal, Shailendra K Saraf
This review aims to be a comprehensive, authoritative, critical, and readable review of general interest to the medicinal chemistry community because it focuses on the pharmacological, chemical, structural and computational aspects of diverse chemical categories as monoamine oxidase inhibitors (MAOIs). Monoamine oxidases (MAOs), namely MAO-A and MAO-B represent an enormously valuable class of neuronal enzymes embodying neurobiological origin and functions, serving as potential therapeutic target in neuronal pharmacotherapy, and hence we have coined the term "Neurozymes" which is being introduced for the first time ever...
January 4, 2018: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29333106/which-point-of-care-tests-would-be-most-beneficial-to-add-to-clinical-practice-findings-from-a-survey-of-3-family-medicine-clinics-in-the-united-states
#11
Victoria Hardy, William Alto, Gina A Keppel, Laura-Mae Baldwin, Matthew Thompson
Background: Point-of-care tests (POCTs) are increasingly used in family medicine to facilitate screening, diagnosis, monitoring, treatment, and referral decisions for a variety of conditions. Point-of-care tests that clinicians believe might be beneficial to add to clinical practice and the conditions for which they would be most useful in family medicine remain poorly understood in the United States. Methods: Forty-two clinicians at 3 family medicine residency clinics completed a brief survey asking which POCTs they believed would be beneficial to add to their clinical practice and the conditions POCTs would be most useful for...
December 2017: Point of Care
https://www.readbyqxmd.com/read/29330127/present-drug-likeness-filters-in-medicinal-chemistry-during-the-hit-and-lead-optimization-process-how-far-can-they-be-simplified
#12
REVIEW
Serge Mignani, João Rodrigues, Helena Tomas, Rachid Jalal, Parvinder Pal Singh, Jean-Pierre Majoral, Ram A Vishwakarma
During the past decade, decreasing the attrition rate of drug development candidates reaching the market has become one of the major challenges in pharmaceutical research and drug development (R&D). To facilitate the decision-making process, and to increase the probability of rapidly finding and developing high-quality compounds, a variety of multiparametric guidelines, also known as rules and ligand efficiency (LE) metrics, have been developed. However, what are the 'best' descriptors and how far can we simplify these drug-likeness prediction tools in terms of the numerous, complex properties that they relate to?...
January 9, 2018: Drug Discovery Today
https://www.readbyqxmd.com/read/29329941/analysis-of-refuse-to-file-policy-for-generic-drug-application-in-taiwan
#13
I-Chen Sun, Churn-Shiouh Gau
Generic drugs are accounted for majority of medicinal products. To reduce the unnecessary review for incomplete dossiers of generic drugs, Taiwanese government launched a refuse-to-file (RTF) procedure since 2017. The present study aimed to examine the outcome of RTF procedure by analyzing application characteristic, RTF rate and deficiencies found in the submitted dossiers. Descriptions of administrative information, chemistry, manufacturing and controls, bioequivalence study, and comparative dissolution testing were presented during the first 6 months after the implementation of RTF policy...
January 9, 2018: Regulatory Toxicology and Pharmacology: RTP
https://www.readbyqxmd.com/read/29325200/three-component-domino-knoevenagel-vinylogous-michael-reaction-entry-to-challenging-o-terphenyls
#14
Dominik Grau, Benedikt W Grau, Frank Hampel, Svetlana B Tsogoeva
An unprecedented organocatalytic three-component domino Knoevenagel/vinylogous Michael reaction starting from simple enolizable aldehydes, malononitrile and nitroolefins is reported. This facile two-step domino process provides a stereoselective straightforward route to multifunctional vinyl malononitrile products (up to 82% yield, 85:15 d.r.), comprising a nitroalkane moiety, and contributes to development of sustainability and atom economy. The application of the obtained domino products for synthesis of highly functionalized o-terphenyls (of high interest for materials science and medicinal chemistry) through subsequent three-step domino reaction involving cyclization/ tautomerization/ aromatization steps, has been demonstrated...
January 11, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29324679/antibacterial-evaluation-and-virtual-screening-of-new-thiazolyl-triazole-schiff-bases-as-potential-dna-gyrase-inhibitors
#15
Cristina Nastasă, Dan C Vodnar, Ioana Ionuţ, Anca Stana, Daniela Benedec, Radu Tamaian, Ovidiu Oniga, Brînduşa Tiperciuc
The global spread of bacterial resistance to drugs used in therapy requires new potent and safe antimicrobial agents. DNA gyrases represent important targets in drug discovery. Schiff bases, thiazole, and triazole derivatives are considered key scaffolds in medicinal chemistry. Fifteen thiazolyl-triazole Schiff bases were evaluated for their antibacterial activity, measuring the growth inhibition zone diameter, the minimum inhibitory concentration (MIC), and the minimum bactericidal concentration (MBC), against Gram-positive (Staphylococcus aureus, Listeria monocytogenes) and Gram-negative (Escherichia coli, Salmonella typhimurium, Pseudomonas aeruginosa) bacteria...
January 11, 2018: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/29322647/max-bergmann-award-lecture-macromolecular-medicinal-chemistry-as-applied-to-metabolic-diseases
#16
REVIEW
Richard D DiMarchi, John P Mayer, Vasily M Gelfanov, Matthias Tschöp
This review presents the scope of research presented in an October 2016 lecture pertaining to the award of the 2015 Max Bergmann Medal. The advancement in synthetic and biosynthetic chemistry as applied to the discovery of novel macromolecular drug candidates is reviewed. The evolution of the technology from the design, synthesis, and development of the first biosynthetic peptides through the emergence of peptide-based incretin agonists that function by multiple biological mechanisms is exemplified by the progression of such peptides from preclinical to clinical study...
January 2018: Journal of Peptide Science: An Official Publication of the European Peptide Society
https://www.readbyqxmd.com/read/29320509/dynamics-of-co-authorship-and-productivity-across-different-fields-of-scientific-research
#17
Austin J Parish, Kevin W Boyack, John P A Ioannidis
We aimed to assess which factors correlate with collaborative behavior and whether such behavior associates with scientific impact (citations and becoming a principal investigator). We used the R index which is defined for each author as log(Np)/log(I1), where I1 is the number of co-authors who appear in at least I1 papers written by that author and Np are his/her total papers. Higher R means lower collaborative behavior, i.e. not working much with others, or not collaborating repeatedly with the same co-authors...
2018: PloS One
https://www.readbyqxmd.com/read/29319225/de-novo-design-of-bioactive-small-molecules-by-artificial-intelligence
#18
Daniel Merk, Lukas Friedrich, Francesca Grisoni, Gisbert Schneider
Generative artificial intelligence offers a fresh view on molecular design. We present the first-time prospective application of a deep learning model for designing new druglike compounds with desired activities. For this purpose, we trained a recurrent neural network to capture the constitution of a large set of known bioactive compounds represented as SMILES strings. By transfer learning, this general model was fine-tuned on recognizing retinoid X and peroxisome proliferator-activated receptor agonists. We synthesized five top-ranking compounds designed by the generative model...
January 10, 2018: Molecular Informatics
https://www.readbyqxmd.com/read/29316363/exploiting-advanced-hydrogel-technologies-to-address-key-challenges-in-regenerative-medicine
#19
REVIEW
Daniel A Foyt, Michael D A Norman, Tracy T L Yu, Eileen Gentleman
Regenerative medicine aims to tackle a panoply of challenges from repairing focal damage to articular cartilage to preventing pathological tissue remodeling after myocardial infarction. Hydrogels are water-swollen networks formed from synthetic or naturally derived polymers and are emerging as important tools to address these challenges. Recent advances in hydrogel chemistries are enabling researchers to create hydrogels that can act as 3D ex vivo tissue models, allowing them to explore fundamental questions in cell biology by replicating tissues' dynamic and nonlinear physical properties...
January 9, 2018: Advanced Healthcare Materials
https://www.readbyqxmd.com/read/29316086/biopolymer-aerogels-chemistry-properties-and-applications
#20
Shanyu Zhao, Wim J Malfait, Natalia Guerrero Alburquerque, Matthias M Koebel, Gustav Nyström
Biopolymer aerogels were among the first produced aerogels (1932), but have then faded into the background. The last decade has witnessed a tremendous revival in biopolymer and biopolymer-composite aerogel research, motivated by sustainability arguments, unique and tunable properties, and ease of functionalization. Biopolymer aerogels have great potential for classical aerogel applications such as thermal insulation, as well as emerging applications in filtration, oil-water separation, CO2 capture, catalysis, and medicine...
January 5, 2018: Angewandte Chemie
keyword
keyword
20947
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"