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This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact

Medicine --- Psychiatry --- early life stress --- Major depression (MDD) --- emotion --- monoamine --- HPA

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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

Rationale drug design --- GPCR agonists --- Molecular dynamic simulations --- Neurodegenerative Diseases --- monoamine pharmacology --- Oxidative Stress --- Multi-target designed ligands --- Epilepsy --- Chemi-informatics

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Coumarins are widely distributed in nature and can be found in a large number of naturally occurring and synthetic bioactive molecules. The unique and versatile oxygen-containing heterocyclic structure makes them a privileged scaffold in Medicinal Chemistry. Many coumarin derivatives have been extracted from natural sources, designed, synthetized, and evaluated on different pharmacological targets. In addition, coumarin-based ion receptors, fluorescent probes, and biological stains are growing quickly and have extensive applications to monitor timely enzyme activity, complex biological events, as well as accurate pharmacological and pharmacokinetic properties in living cells. The extraction, synthesis, and biological evaluation of coumarins have become extremely attractive and rapidly developing topics. A large number of research and review papers have compiled information on this important family of compounds in 2020. Research articles, reviews, communications, and concept papers focused on the multidisciplinary profile of coumarins, highlighting natural sources, most recent synthetic pathways, along with the main biological applications and theoretical studies, were the main focus of this book. The huge and growing range of applications of coumarins described in this book is a demonstration of the potential of this family of compounds in Organic Chemistry, Medicinal Chemistry, and different sciences related to the study of natural products. This book includes 23 articles: 17 original papers and six review papers.

Research & information: general --- Biology, life sciences --- coumarin --- hydroxyl-modified coumarin --- photophysical --- thermal and structural characterization --- Glycyrrhiza uralensis --- glycyrol --- liquiritigenin --- cholinesterases --- human monoamine oxidases --- kinetics --- docking simulation --- chalcone --- neurodegenerative diseases --- adenosine receptors --- binding affinity --- docking --- 4-hydroxy-7-methoxycoumarin --- macrophage --- inflammation --- NF-κB --- MAPK --- calanolides --- pseudocalanolides --- calanolide A --- Calophyllum --- Calophyllaceae --- anti-HIV --- reverse transcriptase --- non-nucleoside reverse transcriptase inhibitors (NNRTIs) --- osthole --- umbelliferone --- esculin --- 4-hydroxycoumarin --- sorafenib --- apoptosis --- autophagy --- Yin Chen Hao --- constitutive androstane receptor --- scoparone --- coumarins --- quorum sensing --- QS inhibitors --- plant-derived molecules --- Chromobacterium violaceum --- immunoproteasome --- psoralen core --- non-peptidic --- electrophilic compounds --- warhead scan --- inflammatory bowel disease --- isocoumarin --- Crohn’s disease --- ulcerative colitis --- glutathione --- oxidative stress --- complementary therapies --- intestinal inflammation --- benzopyrones --- five-membered aromatic heterocycles --- furan --- pyrrole --- thiophene --- selenophen --- dihydrocoumarin-fused dihydropyranones --- 3-aroylcoumarines --- benzyl 2,3-butadienoate --- 6’-(4-biphenyl)-β-iso-cinchonine --- biological applications --- drug discovery --- fluorescent probes --- warfarin --- acenocoumarol --- mechanical valve --- time in therapeutic range --- anticoagulation --- Ruta chalepensis --- Rutaceae --- chalepin --- chalepensin --- bioactivity --- biosynthesis --- coumarin3-carboxamides --- pyranocoumarins --- anticancer activity --- antibacterial activity --- free radical polymerization --- LED --- photocomposites --- direct laser write --- analytical methods --- model plant --- natural genetic variation --- natural products --- simple coumarins --- chalcocoumarin --- MAO-B --- molecular dynamics --- in silico studies --- dye-sensitized solar cells --- coumarin dyes --- thieno [3,2-b] thiophene --- charge transfer --- ethynylaryl --- esculetin --- antiplatelet activity --- impedance aggregometry --- COX --- polyphenols --- pyrazole --- imidazole --- thiazole --- oxazole --- triazole --- thiadiazole --- curcumin --- curcumin–coumarin hybrids --- neuroprotection --- monoamine oxidase inhibition --- cholinesterase inhibition --- scavenging activity --- Escherichia coli --- biotransformation --- ferulenol --- structural annotation --- in silico tools --- n/a --- Crohn's disease --- 6'-(4-biphenyl)-β-iso-cinchonine --- curcumin-coumarin hybrids