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For thousands of years, pharmacological knowledge coming from natural remedies, has been handed down from generation to generation, without any awareness of the ways in which preparations are made to face diseases. The advent of pharmaceutical chemistry and of the modern drug industry turned that lack of awareness into a scientific knowledge that changed the destiny of the human race. The twenty-eight chapters of this book, are taken from the lectures held by Professor Ettore Novellino every year in his course “Pharmaceutical Chemistry and Toxicology 2”. The first chapters address the basic notions of drugs, homeostasis, pharmacopoeia, and receptor; then, the different pharmaceutical classes are introduced by analyzing their pharmacological and chemical aspects. In particular, the structural study of the interaction between drugs and receptors or biological enzymes gives the fundamentals to connect the chemical and stereochemical properties of a compound family, with the biological activity, a correlation better known as Quantitative Structure-Activity Relationship (QSAR). Several examples of the synthesis of some of the most historically renown drugs, provided at the end of each chapter, integrate the book.
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For thousands of years, pharmacological knowledge coming from natural remedies, has been handed down from generation to generation, without any awareness of the ways in which preparations are made to face diseases. The advent of pharmaceutical chemistry and of the modern drug industry turned that lack of awareness into a scientific knowledge that changed the destiny of the human race. The twenty-eight chapters of this book, are taken from the lectures held by Professor Ettore Novellino every year in his course “Pharmaceutical Chemistry and Toxicology 2”. The first chapters address the basic notions of drugs, homeostasis, pharmacopoeia, and receptor; then, the different pharmaceutical classes are introduced by analyzing their pharmacological and chemical aspects. In particular, the structural study of the interaction between drugs and receptors or biological enzymes gives the fundamentals to connect the chemical and stereochemical properties of a compound family, with the biological activity, a correlation better known as Quantitative Structure-Activity Relationship (QSAR). Several examples of the synthesis of some of the most historically renown drugs, provided at the end of each chapter, integrate the book.
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A major source of active compounds, natural products from different sources supply a large variety of molecules that have been approved for clinical use or used as the starting points of optimization programs. This book features nine papers (eight full articles and one review paper) written by more than 45 scientists from around the world. These papers illustrate the development and application of a broad range of computational and experimental techniques applied to natural product research. On behalf of the contributors to the book, our hope is that the research presented here contributes to advancements in the field, and encourages multidisciplinary teams, young scientists, and students to further advance in the discovery of pharmacologically-active natural compounds
n/a --- immunoproteasome --- ginsenoside F1 --- visualization --- chemoinformatics --- soil microorganism --- molecular diversity --- web service --- epigenetics --- bioinsecticides --- Tibetan Plateau --- nanoparticles --- Py-GC/MS --- drug discovery --- consensus diversity plot --- chemical data set --- molecular interactions --- curcumin --- similarity maps --- Alzheimer’s disease --- proteasome inhibitors --- cyclodextrin glycosyltransferase (CGTase) --- classification --- squalene --- docking --- molecular docking --- cholestasis --- protein aggregation --- brain diseases --- structure–activity relationship --- flavonoids --- molecular fingerprints --- cyclodextrin glycosyltransferase --- random forest --- multitarget --- natural products --- inflammation --- natural product-likeness --- chemical space --- epi-informatics --- molecular dynamics --- machine learning --- systematic review --- phenylethanoid glycosides --- ?-glucosyl ginsenoside F1 --- alpine grassland --- Calceolaria --- marine diterpenoid --- Parkinson’s disease --- Alzheimer's disease --- structure-activity relationship --- Parkinson's disease
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The parasitic lifestyle in plants has always been the subject of curiosity of scientists, but during the last decade, our understanding of parasitic plant–host interactions has greatly evolved due to rapid advances in molecular and genomic tools, especially high throughput DNA sequencing, transcriptomics, and metabolomics. Recent findings taken the science of parasitic plants to a higher level, opening up new horizons in parasitic weed management. The discovery of a novel family of phytohormones, the strigolactones, and their involvement in the host detection and evolution of parasitic plants, the detection of information exchange between host and parasite, and elucidation of the suppression of host defense mechanisms by parasites has led to a deeper understanding of physiological processes in host–parasite interactions. In the light of recent achievements, the re-evaluation of control management, including smart chemical control, crop breeding, and molecular genetics, are on the agenda.
Research & information: general --- Biology, life sciences --- chemigation --- drip irrigation --- Egyptian broomrape --- herbicide --- imazapic --- parasitic plants --- tomato --- weed control --- sunflower (Helianthus annuus) --- broomrape (Orobanche cumana) --- broomrape resistance --- transcriptomics --- GC-MS analysis --- holoparasitic plant --- metabolic changes --- parasitic organs --- parasitic weeds --- Striga --- Orobanche --- Phelipanche --- chickpea --- strigolactone --- chickpea phenotype --- chlorophyll --- carotenoid --- anthocyanin --- Cuscuta --- food chain --- feeding mode --- heavy metal --- holoparasite --- host --- tRNA --- mobile mRNA --- crop safety --- branched broomrape --- imazamox --- sulfosulfuron --- germination stimulant --- isothiocyanates --- structure–activity relationship --- suicidal germination --- Striga hermonthica --- seedbank --- strigolactone analogs --- witch weeds --- methyl phenlactonoate --- Phelipanche aegyptiaca --- glyphosate --- ethametsulfuron-methyl --- chemical control --- n/a --- structure-activity relationship
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Marine natural products are characterized by high chemical diversity, biochemical specificity, and other molecular properties that make them favorable as lead structures for drug discovery. In this field, one of the main problems is often the reduced natural availability of isolated substances, which can complicate both the structural characterization and possible future developments. For these reasons, the study of bioactive marine metabolites should rely on the development of chemical synthesis and synthetic strategies aimed at the preparation of pure compounds and analogs both for structural confirmation and/or for the large-scale preparation necessary for future applications. Moreover, natural products can be a crucial starting point for the preparation of molecules structurally inspired by the latter, opening the path to new classes of biologically active compounds with pharmacological potential. This book collects original research articles regarding synthetic strategies for secondary marine metabolites and/or analogs that favor applications of these molecules and/or solve structural challenges common in the field of natural substances.
organic synthesis --- meroterpenoids --- thiazinoquinones --- antiproliferative activity --- G0/G1 cell-cycle arrest --- cytostatic --- solid tumor cell lines --- alkylglycerol (AKG) --- ricinoleic acid (RA) --- antimicrobial activity --- structure–activity relationship (SAR) studies --- antibiotics (gentamicin --- tetracycline --- ciprofloxacin and ampicillin) --- marine-inspired --- breast cancer --- bis-indoles --- synthesis --- apoptosis --- carbohydrates --- polysaccharides --- semi-synthesis --- sulfation --- glycosylation --- fucose --- fucosylated chondroitin sulfate --- marine natural product --- largazole --- HDAC inhibitors --- modification --- fluoro olefin --- total synthesis --- natural product --- 7-deazapurine nucleoside --- disaccharide nucleoside --- tubercidin --- aureol --- tetracyclic meroterpenoids --- natural products synthesis --- labdane scaffold --- bioactive diterpenes --- sclareolide --- structure-activity relationships --- TRPV4 channel --- amides/esters --- COVID-19 --- SARS-CoV-2 --- lipophilic iminosugars --- polymer-supported triphenyl phosphine --- cholesterol --- antibacterial iminosugars --- n/a --- structure-activity relationship (SAR) studies
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Oral health is general health. If the oral cavity is kept healthy, the whole body is always healthy. Bacteria in the oral cavity do not stay in the oral cavity, but rather they travel throughout the body and can induce various diseases. Periodontal pathogens are involved in tooth loss. The number of remaining teeth decreases with age. People with more residual teeth can bite food well and live longer with lower incidence of dementia. There are many viruses in the oral cavity that also cause various diseases. Bacteria and viruses induce and aggravate inflammation, and therefore should be removed from the oral cavity. In the natural world, there are are many as yet undiscovered antiviral, antibacterial and anti-inflammatory substances. These natural substances, as well as chemically modified derivatives, help our oral health and lead us to more fulfilling, high quality lives. This Special Issue, entitled “Biological Efficacy of Natural and Chemically Modified Products against Oral Inflammatory Lesions”, was written by specialists from a diverse variety of fields. It serves to provide readers with up-to-date information on incidence rates in each age group, etiology and treatment of stomatitis, and to investigate the application of such treatments as oral care and cosmetic materials.
gargle --- oral lichen planus --- angiotensin II blocker --- quantitative structure-activity relationship --- metabolomics --- CCN2 --- anti-human immunodeficiency virus (HIV) --- oral cell --- arachidonic acid cascade --- Kampo medicine --- lignin-carbohydrate complex --- traditional medicine --- eugenol --- QSAR analysis --- constituent plant extract --- polyphenol --- benzaldehyde --- glucosyltransferase --- infective endocarditis --- antiviral --- periodontitis --- nutritionally variant streptococci --- Kampo --- quantitative structure-activity relationship (QSAR) analysis --- traditional Japanese herbal medicine --- technical terms --- allergic rhinitis --- nasal epithelial cell --- antimicrobial susceptibilities --- alkaline extract --- mastic --- stomatitis --- thioredoxin --- production --- oral microbiota --- Jixueteng --- oral inflammation --- random forest --- mice --- chromone --- natural products --- Chinese herbal remedies --- inflammation --- quercetin --- in vivo --- kampo formula --- glucocorticoids --- Hangeshashinto --- recurrent aphthous stomatitis --- anti-osteoclast activity --- cytotoxicity --- dental application --- tongue diagnosis --- natural product --- alkaloids --- inflammatory disease --- pathogenic factors --- increase --- machine learning --- human virus --- cepharanthin --- mucositis --- oral diseases --- Juzentaihoto --- in vitro --- herbal medicine --- tumour-specificity
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Homogeneous catalysis owes its success, in large part, to the development of a wide range of ligands with well-defined electronic and steric properties, which have thus made it possible to adjust the behavior of many organometallic complexes. However, ligands used in catalysis have long been centered on elements of group 15, and it is only more recently that carbon ligands have proved to be valuable alternatives with the emergence of cyclic diaminocarbenes (NHC).This Special Issue aims to provide a contemporary overview of the advances in carbon ligand chemistry from fundamental aspects to applications.
carbenes --- ylides --- DFT calculations --- electronic structure --- catalysis --- ligands --- structure–activity relationship --- NHC --- nanoparticle --- calixarene --- palladium catalyst --- Suzuki-Miyaura reaction --- amino-acids --- water --- carbon ligand --- amide --- negative charge --- phosphonium ylide --- oxide --- pincer --- metathesis --- ruthenium --- nitro catalysts --- NHC ligands --- olefins --- selenonium ylides --- selenonium salts --- chirality --- stereogenic selenium atom --- asymmetric synthesis --- optical resolution --- reactivity --- malaria --- Plasmodium falciparum --- gold --- NHC-ligands --- hybrid molecules --- drug resistance --- N-heterocyclic carbene --- platinum --- metal complexes --- 195Pt NMR --- N-heterocyclic carbenes --- imidazole --- spectroscopy --- X-ray --- mercury(II) complex --- T-shaped --- carbodiphosphorane --- phosphorus ylides --- pincer ligands --- coordination chemistry --- Cu(I) complex --- photoluminescence --- titanium --- hafnium --- copolymerization of epoxide with CO2 --- density functional theory --- natural bond orbitals --- aromaticity --- ion pairs --- alkali metals --- tropylidenyl ions --- cyclooctatetraene ions --- rhodium --- electron paramagnetic resonance (EPR) spectroscopy --- density functional theory (DFT) --- electrochemistry --- carbone complexes --- carbido complexes --- transition metal complexes --- chemical bonding --- pincer ligand --- macrocycle --- lithium --- potassium --- intramolecular C-H activation --- dehydrogenation --- carbone --- ligand --- germylene --- coordination --- ylide --- n/a --- structure-activity relationship
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In the two last decades, proteases have constituted one of the primary and important targets in drug discovery. The U.S. FDA has approved more than 12 protease therapies in the last 10 years, and a number of next-generation or completely new proteases are under clinical development. Protease inhibition strategies are one of the fastest expanding areas in the field of of drugs that show considerable promise. This Special Issue will focus on the recent advances in the discovery and development of protease inhibitors, covering the synthesis of protease inhibitors, the design of new chemical entities acting as inhibitors of special/particular types of proteases, and their mode of actions (Frolova et al. 2020; Slapak et al. 2020; Künnapuu et al. 2021). In addition, the new applications of these interesting compounds/biomolecules and their limitations have been discussed and described (Wang et al. 2020; Bartošová-Sojková et al. 2021).
MMP --- MMP2 --- MMP9 --- MMP7 --- MMP14 --- matrix metalloproteases --- PDAC --- pancreatic cancer --- Bowman–Birk inhibitor --- ranacyclin --- trypsin inhibitor --- structure–activity relationship --- synergistic effect --- Gentamicin --- matrix metalloproteinase --- extracellular matrix --- nuclei --- cancer --- apoptosis --- immune response --- cysteine protease inhibitor --- stefin --- signal peptide --- parasite --- phylogenetic analysis --- diversification --- protein structure --- vascular endothelial growth factors (VEGFs) --- VEGF-A --- PlGF --- VEGF-B --- VEGF-C --- VEGF-D --- angiogenesis --- lymphangiogenesis --- CCBE1 --- proteases --- ADAMTS3 --- plasmin --- cathepsin D --- KLK3 --- prostate-specific antigen (PSA) --- thrombin --- wound healing --- metastasis --- proteolytic activation --- vascular biology --- lymphedema
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This Special Issue is focused on natural polyphenols and their synthetic bioactive analogues. It is composed of one review on aza- and azo-stilbenes as bioisosteric analogs of the stilbenoid resveratrol and four original articles, including studies on synthetic (bisphenol neolignans inspired by honokiol, multicomponent synthesis of polyphenols), and natural polyphenols (polyphenols from Tamarix ramosissima and Melanoleuca styphelioides) as antiproliferative, anti-Alzheimer’s, antioxidant, antimicrobial, or anti-inflammatory agents.
Melaleuca styphelioides --- polyphenols --- LC/MS-MS --- anti-oxidant activity --- anti-inflammatory activity --- keratinocytes --- Tamarix ramosissima --- polyphenolics --- antioxidant activity --- antimicrobial activity --- isorhamnetin --- hispidulin --- cirsimaritin --- multicomponent reactions --- β-amyloid proteins --- Alzheimer’s disease --- Ugi reaction --- β-lactams --- trans-resveratrol --- aza-stilbene --- azo-stilbene --- bio-isosterism --- structure-activity relationship --- honokiol --- bisphenol neolignans --- Suzuki–Miyaura cross-coupling --- antitumor activity --- apoptosis --- n/a --- Alzheimer's disease --- Suzuki-Miyaura cross-coupling
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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.
bacteria --- folding --- co-translational refolding --- RecQ helicase --- regulatory element --- conformational dynamics --- G4Hunter --- NDPK --- fluorescence --- pseudorabies virus --- Epstein-Barr virus (EBV) --- structure-activity relationship --- PhenDC3 --- eukaryotic hosts --- Herpesvirus --- translation suppression --- turn-on ligands --- co-transcriptional folding --- Herpesviridae --- G-quadruplex --- nucleoside diphosphate kinase --- nucleic acids --- nucleic acids conformation --- bioinformatics --- protein–DNA interaction --- aptamers --- deinococcus --- Alphaherpesvirinae --- EBNA1 --- G4 --- virus --- human papillomaviruses --- S. cerevisiae --- genome stability --- G-quadruplexes --- metastable structure --- genome evolution --- pyridostatin --- alphaherpesviruses --- structure --- protozoa --- genome --- G-quadruplex ligand --- NMR --- microbes --- DNA --- protein-mRNA interactions --- G-quadruplex formation --- immediate early promoters
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