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Self-Assembled Molecules – New Kind of Protein Ligands: Supramolecular Ligands

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ISBN: 9783319656380 9783319656397 Year: Pages: 136 DOI: https://doi.org/10.1007/978-3-319-65639-7 Language: English
Publisher: Springer
Subject: Biochemistry
Added to DOAB on : 2017-11-24 17:24:09
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The subject of this book relates to protein ligands with particular structural and complexation properties. They are composed of self-assembled molecules, capable of penetrating as a unit into proteins outside the binding site. The ribbon-like supramolecular system only permits the penetration of self-assembled molecules into the protein-body and formation of stable complexes. Supramolecular Congo red and similar compounds fit these requirements. Destabilized protein fragments enable the penetration of such ligands, with susceptibility to supramolecular ligand binding often associated with protein function. As a result, complexation modifies their functional effects. The activity of enzymes is inhibited by arresting them in the complexed state, but “naturally irreversible” complexation as in the case of immune complexation, is enhanced instead. This property offers many attractive possibilities of using supramolecular ligands as described in this book.

Organic Ligands in Marine Trace Metal Biogeochemistry

Authors: --- --- --- --- et al.
Book Series: Frontiers Research Topics ISSN: 16648714 ISBN: 9782889453764 Year: Pages: 303 DOI: 10.3389/978-2-88945-376-4 Language: English
Publisher: Frontiers Media SA
Subject: Science (General) --- Oceanography
Added to DOAB on : 2018-11-16 17:17:57
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This research topic highlights the most recent accomplishments of a Scientific Committee on Oceanic Research (SCOR) Working Group, SCOR WG 139: Organic Ligands - A Key Control on Trace Metal Biogeochemistry in the Ocean.

Histamine H4 receptor. A Novel Drug Target For Immunoregulation and Inflammation

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ISBN: 9788376560564 Year: Pages: 368 DOI: 10.2478/9788376560564 Language: English
Publisher: De Gruyter
Subject: Biochemistry
Added to DOAB on : 2014-03-05 13:31:51
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H4R is the newest member of the histamine receptor family, which was discovered about twelve years ago. It is considered a very promising drug target. The effort to improve the pharmacokinetic properties of the currently available H4R ligands is reflected in a steadily growing number of scientific publications and patent applications. Preclinical data strongly confirms the need for novel potent H4R ligands to explore their therapeutic value in allergy, inflammation, autoimmune disorders, and possibly, cancer. Readers will be provided with extensive knowledge on histamine metabolism, as well as cellular histamine transport, storage and release, effects of histamine and histamine receptor ligands, with particular attention to the H4R, on inflammatory cells including mast cells, basophils, eosinophils, neutrophils, macrophages, dendritic cells, and T cells. The present knowledge on the regulatory role of histamine and the therapeutic exploitation of histamine receptor ligands in atopic diseases, with emphasis on human and animal models of asthma, allergic dermatitis and pruritus are discussed.

Structure-Based Drug Design for Diagnosis and Treatment of Neurological Diseases

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Book Series: Frontiers Research Topics ISSN: 16648714 ISBN: 9782889451234 Year: Pages: 204 DOI: 10.3389/978-2-88945-123-4 Language: English
Publisher: Frontiers Media SA
Subject: Therapeutics --- Neurology --- Science (General)
Added to DOAB on : 2017-07-06 13:27:36
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European Cooperation in Science and Technology (COST) supports the collaboration of nationally-funded science and technology research through the creation of networks. COST is the longest-running European framework enhancing cooperation among researchers, engineers and scholars across Europe. The COST Action CM1103 “Structure-based drug design for diagnosis and treatment of neurological diseases: dissecting and modulating complex function in the monoaminergic systems of the brain” is a good example of the advances possible through interdisciplinary collaboration on difficult problems. COST Action CM1103 brought together 28 research groups from 18 countries to collaborate for four years on multi-target drug design for complex neuropathologies. The interdisciplinary expertise of the members is spans the range from computational enzymology to human studies, providing outstanding opportunities for the interdisciplinary development of trainees, and is reflected in the articles in this e-book. This Research Topic covers progress in multi-target drug design for the complex neuropathologies of the monoamine system that are apparent, for example, in Alzheimer’s disease. After a mini-review to introduce the topic of multi-target drug design, the other articles review the Research topic from their own perspective, two from computational approaches, three from medicinal chemistry, two from molecular pharmacology, and two from studies in whole brain. This multi-faceted approach describes new compounds, new methodology, and advances in the basic science of understanding the brain. This Ebook is based upon work from COST Action (CM1103 “Structure-based drug design for diagnosis and treatment of neurological diseases: dissecting and modulating complex function in the monoaminergic systems of the brain"), supported by COST (European Cooperation in Science and Technology). COST (European Cooperation in Science and Technology) is a pan-European intergovernmental framework. Its mission is to enable break-through scientific and technological developments leading to new concepts and products and thereby contribute to strengthening Europe’s research and innovation capacities. It allows researchers, engineers and scholars to jointly develop their own ideas and take new initiatives across all fields of science and technology, while promoting multi- and interdisciplinary approaches. COST aims at fostering a better integration of less research intensive countries to the knowledge hubs of the European Research Area. The COST Association, an International not-for-profit Association under Belgian Law, integrates all management, governing and administrative functions necessary for the operation of the framework. The COST Association has currently 36 Member Countries. www.cost.eu

The Chemistry of Imaging Probes

Authors: ---
Book Series: Frontiers Research Topics ISSN: 16648714 ISBN: 9782889455980 Year: Pages: 129 DOI: 10.3389/978-2-88945-598-0 Language: English
Publisher: Frontiers Media SA
Subject: Science (General) --- Chemistry (General)
Added to DOAB on : 2019-01-23 14:53:43
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Over the past decades, the field of molecular imaging has been rapidly growing involving multiple disciplines such as medicine, biology, chemistry, pharmacology and biomedical engineering. Any molecular imaging procedure requires an imaging probe that is an agent used to visualize, characterize and quantify biological processes in living systems. Such a probe typically consists of an agent that usually produces signal for imaging purpose, a targeting moiety, and a linker connecting the targeting moiety and the signaling agent.Many challenging problems of molecular imaging can be addressed by exploiting the great possibilities offered by modern synthetic organic and coordination chemistry and the powerful procedures provided by conjugation chemistry. Thus, chemistry plays a decisive role in the development of this cutting-edge methodology.Currently, the diagnostic imaging modalities include Magnetic Resonance Imaging (MRI), Computed Tomography (CT), Ultrasound (US), Nuclear Imaging (PET, SPECT), Optical Imaging (OI) and Photoacoustic Imaging (PAI). Each of these imaging modalities has its own advantages and disadvantages, and therefore, a multimodal approach combining two techniques is often adopted to generate complementary anatomical and functional information of the disease. The basis for designing imaging probes for a given application is dictated by the chosen imaging modality, which in turn is dependent upon the concentration and localization profile (vascular, extracellular matrix, cell membrane, intracellular, near or at the cell nucleus) of the target molecule. The development of high-affinity ligands and their conjugation to the targeting vector is also one of the key steps for pursuing efficient molecular imaging probes. Other excellent reviews, text and monographs describe the principles of biomedical imaging, focusing on molecular biology or on the physics behind the techniques. This Research Topic aims to show how chemistry can offer molecular imaging the opportunity to express all its potential.

G-quadruplex and Microorganisms

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ISBN: 9783039212439 / 9783039212446 Year: Pages: 208 DOI: 10.3390/books978-3-03921-244-6 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Medicine (General) --- Internal medicine
Added to DOAB on : 2019-12-09 11:49:15
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G-quadruplexes (G4s) are nucleic acids secondary structures that form in DNA or RNA guanine (G)-rich strands. In recent years, the presence of G4s in microorganisms has attracted increasing interest. In prokaryotes, G4 sequences have been reported in several human pathogens. Bacterial enzymes able to process G4s have been identified. In viruses, G4s have been suggested to be involved in key steps of the viral life cycle: They have been associated with the human immunodeficiency virus (HIV), herpes simplex virus 1 (HSV-1), human papilloma virus, swine pseudorabies virus, and other viruses’ genomes. New evidence shows the presence of G4s in parasitic protozoa, such as the causative agent of malaria. G4 binding proteins and mRNA G4s have been implicated in the regulation of microorganisms’ genome replication and translation. G4 ligands have been developed and tested both as tools to study the complexity of G4-mediated mechanisms in the viral life cycle and as therapeutic agents. Moreover, new techniques to study G4 folding and their interactions with proteins have been developed. This Special Issue will focus on G4s present in microorganisms, addressing all the above aspects.

Molecular Modeling in Drug Design

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ISBN: 9783038976141 Year: Pages: 220 DOI: 10.3390/books978-3-03897-615-8 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemistry (General) --- Science (General)
Added to DOAB on : 2019-04-05 10:34:31
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This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules

Keywords

hyperlipidemia --- squalene synthase (SQS) --- molecular modeling --- drug discovery --- Traditional Chinese Medicine --- molecular dynamics simulation --- biophenols --- natural compounds --- amyloid fibrils --- Alzheimer’s disease --- ligand–protofiber interactions --- adhesion --- FimH --- rational drug design --- molecular dynamics --- molecular docking --- ligand binding --- EphA2-ephrin A1 --- PPI inhibition --- interaction energy --- in silico screening --- adenosine --- boron cluster --- adenosine receptors --- AR ligands --- aggregation --- promiscuous mechanism --- human ecto-5?-nucleotidase --- virtual screening --- enzymatic assays --- turbidimetry --- dynamic light scattering --- docking --- solvent effect --- binding affinity --- scoring function --- molecular dynamics --- target-focused pharmacophore modeling --- density-based clustering --- structure-based drug design --- AutoGrid --- grid maps --- probe energies --- method development --- steered molecular dynamics --- all-atom molecular dynamics simulation --- resultant dipole moment --- mechanical stability --- protein-peptide interactions --- molecular dynamics --- proteins --- molecular recognition --- protein protein interactions --- artificial intelligence --- deep learning --- neural networks --- property prediction --- quantitative structure-activity relationship (QSAR) --- quantitative structure-property prediction (QSPR) --- de novo design --- adenosine receptor --- metadynamics --- extracellular loops --- allosterism --- molecular dynamics --- cosolvent molecular dynamics --- drug design --- fragment screening --- docking

TRP Channels in Health and Disease

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ISBN: 9783039210824 / 9783039210831 Year: Pages: 266 DOI: 10.3390/books978-3-03921-083-1 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Medicine (General)
Added to DOAB on : 2019-06-26 08:44:07
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Almost 25 years ago, the first mammalian transient receptor potential (TRP) channel was cloned and published. TRP channels now represent an extended family of 28 members fulfilling multiple roles in the living organism. Identified functions include control of body temperature, transmitter release, mineral homeostasis, chemical sensing, and survival mechanisms in a challenging environment. The TRP channel superfamily covers six families: TRPC with C for “canonical”, TRPA with A for “ankyrin”, TRPM with M for “melastatin”, TRPML with ML for “mucolipidin”, TRPP with P for “polycystin”, and TRPV with V for “vanilloid”. Over the last few years, new findings on TRP channels have confirmed their exceptional function as cellular sensors and effectors. This Special Book features a collection of 8 reviews and 7 original articles published in “Cells” summarizing the current state-of-the-art on TRP channel research, with a main focus on TRP channel activation, their physiological and pathophysiological function, and their roles as pharmacological targets for future therapeutic options.

Keywords

ion channel --- TRPC --- small molecules --- calcium --- chemical probes --- TRPV1 --- TRPV2 --- TRPV3 --- TRPV4 --- mucosal epithelium --- ulcerative colitis --- inflammatory bowel disease --- TRPM4 channel --- cardiovascular system --- physiology --- pathophysiology --- TRPC6 --- elementary immunology --- inflammation --- calcium --- sodium --- neutrophils --- lymphocytes --- endothelium --- platelets --- human medulla oblongata --- cuneate nucleus --- dorsal column nuclei --- TRPV1 --- calcitonin gene-related peptide --- substance P --- TRP channels --- calcium signaling --- salivary glands --- xerostomia --- radiation --- inflammation --- transient receptor potential channels --- TRPC3 pharmacology --- channel structure --- lipid mediators --- photochromic ligands --- transient receptor potential --- TRPC3 --- mGluR1 --- GABAB --- EPSC --- Purkinje cell --- cerebellum --- toxicology --- TRP channels --- organ toxicity --- chemicals --- pollutants --- chemosensor --- TRPM7 --- kinase --- inflammation --- lymphocytes --- calcium signalling --- SMAD --- TH17 --- hypersensitivity --- regulatory T cells --- thrombosis --- graft versus host disease --- 2D gel electrophoresis --- AP18 --- HEK293 --- HSP70 --- MALDI-TOF MS(/MS) --- nanoHPLC-ESI MS/MS --- proteomics --- sulfur mustard --- TRPA1 --- TRPC channels --- diacylglycerol --- TRPC4 --- TRPC5 --- NHERF --- TRP channel --- TRPY1 --- Saccharomyces cerevisiae --- calcium --- manganese --- oxidative stress --- ion channels --- overproduction --- production platform --- protein purification --- Saccharomyces cerevisiae --- sensors --- transient receptor potential (TRP) channels --- yeast --- adipose tissue --- bioavailable --- menthol --- topical --- TRPM8 --- n/a

Unconventional Anticancer Metallodrugs and Strategies to Improve their Pharmacological Profile

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ISBN: 9783039213153 / 9783039213160 Year: Pages: 204 DOI: 10.3390/books978-3-03921-316-0 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Biology --- Biochemistry
Added to DOAB on : 2019-12-09 11:49:15
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For the past 40 years, metal-based drugs have been widely used for the treatment of cancer. Cisplatin and follow-up drugs carboplatin (ParaplatinTM) and oxaliplatin (EloxatinTM) have been the gold standard for metallodrugs in clinical settings as antineoplastic agents. While effective, these drugs (either alone or in combination therapy) have faced a number of clinical challenges resulting from their limited spectrum of activity, high toxicity leading to significant side effects, resistance, poor water solubility, low bioavailability and short circulating time. In the past 10 years, various unconventional non-platinum metal-based agents have emerged as a potential alternative for cancer treatment. These compounds are highly effective and selective in cancers resistant to cisplatin and other chemotherapeutic agents. Research in this area has recently exploded with a relevant number of patents and clinical trials, in addition to reports in scientific journals. Furthermore, in parallel to the synthesis of coordination and organometallic compounds comprising many different metals and unconventional platinum-based derivatives, researchers are focused on optimizing mechanistic and pharmacological features of promising drug candidates. This Special Issue aims to highlight the latest advances in anticancer metallodrugs with a focus on unconventional anticancer agents, as well as novel activation, targeting and delivery strategies aimed at improving their pharmacological profile.

Trends in Catalytic Wet Peroxide Oxidation Processes

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ISBN: 9783039219247 / 9783039219254 Year: Pages: 196 DOI: 10.3390/books978-3-03921-925-4 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: General and Civil Engineering --- Technology (General)
Added to DOAB on : 2020-01-30 16:39:46
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This book gives an overview of the state of the art in Catalytic Wet Peroxide Oxidation research for the treatment of industrial and urban wastewaters and provides novel solutions to overcome the current challenges of this technology. These solutions include tailoring of the catalysts to exploit the use of additional energy sources and oxidants. The collected papers illustrate the high versatility of this low-cost technology, easily adaptable to any kind of wastewater, either polluted by high-loaded recalcitrant organics in industrial wastewaters or by emerging pollutants at microconcentration levels in urban waters.

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