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This Special Issue aims to provide an updated overview of the flourishing ongoing research activity in the field of the chemistry of natural and nature-inspired compounds. Ten of the submitted articles were accepted for publication after peer-review. Interestingly, the published papers cover a wide range of chemical reactions, different scaffolds, and several medicinal chemistry applications. Moreover, this Special Issue gathered contributions from all over the world, testifying the international scientific community’s interest in this topic. I would like to sincerely thank the MDPI staff, particularly Jade Lu and the editorial team of Molbank. I am particularly grateful to the authors that decided to share the results of their research by contributing their manuscript to this Special Issue, and, of course, to the reviewers for their valuable help.

Research & information: general --- quercetin --- flavonoids --- semi-synthetic --- PDE --- sildenafil --- molecular modeling --- Garcinia porrecta --- Clusiaceae --- xanthone --- Lansium domesticum --- Meliaceae --- MCF-7 --- triterpene onoceranoid --- hydrazone --- (+)-camphor --- valproic acid --- technology --- terpenoid --- anticonvulsant activity --- 1,2,3-triazole --- anticancer --- aminoquinoline --- hybrid compound --- kokosanolide --- tetranortriterpenoid --- C. dichotoma --- antidiabetic --- α-glucosidase --- α-amylase --- docking --- ADMET --- curcumin analog --- organic synthesis --- photophysical properties --- steady-state fluorescence --- DFT calculation --- 7-hydroxy-2H-chromen-2-one --- O-acylation reaction --- coumarin --- lupeol derivative --- benzylidene derivative --- α-glucosidase inhibition --- Oxone® --- n/a

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This Special Issue aims to provide an updated overview of the flourishing ongoing research activity in the field of the chemistry of natural and nature-inspired compounds. Ten of the submitted articles were accepted for publication after peer-review. Interestingly, the published papers cover a wide range of chemical reactions, different scaffolds, and several medicinal chemistry applications. Moreover, this Special Issue gathered contributions from all over the world, testifying the international scientific community’s interest in this topic. I would like to sincerely thank the MDPI staff, particularly Jade Lu and the editorial team of Molbank. I am particularly grateful to the authors that decided to share the results of their research by contributing their manuscript to this Special Issue, and, of course, to the reviewers for their valuable help.

Research & information: general --- quercetin --- flavonoids --- semi-synthetic --- PDE --- sildenafil --- molecular modeling --- Garcinia porrecta --- Clusiaceae --- xanthone --- Lansium domesticum --- Meliaceae --- MCF-7 --- triterpene onoceranoid --- hydrazone --- (+)-camphor --- valproic acid --- technology --- terpenoid --- anticonvulsant activity --- 1,2,3-triazole --- anticancer --- aminoquinoline --- hybrid compound --- kokosanolide --- tetranortriterpenoid --- C. dichotoma --- antidiabetic --- α-glucosidase --- α-amylase --- docking --- ADMET --- curcumin analog --- organic synthesis --- photophysical properties --- steady-state fluorescence --- DFT calculation --- 7-hydroxy-2H-chromen-2-one --- O-acylation reaction --- coumarin --- lupeol derivative --- benzylidene derivative --- α-glucosidase inhibition --- Oxone®

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This book describes the results of both theoretical and experimental research on many topical issues in intramolecular hydrogen bonding. Its great advantage is that the presented research results have been obtained using many different techniques. Therefore, it is an excellent review of these methods, while showing their applicability to the current scientific issues regarding intramolecular hydrogen bonds. The experimental techniques used include X-ray diffraction, infrared and Raman spectroscopy (IR), nuclear magnetic resonance spectroscopy (NMR), nuclear quadrupole resonance spectroscopy (NQR), incoherent inelastic neutron scattering (IINS), and differential scanning calorimetry (DSC). The solvatochromic and luminescent studies are also described. On the other hand, theoretical research is based on ab initio calculations and the Car–Parrinello Molecular Dynamics (CPMD). In the latter case, a description of nuclear quantum effects (NQE) is also possible. This book also demonstrates the use of theoretical methods such as Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Natural Bond Orbital (NBO), Non-Covalent Interactions (NCI) index, Molecular Tailoring Approach (MTA), and many others.

intramolecular interaction --- interaction energy --- hydrogen bond --- intramolecular hydrogen bonds --- deuterium isotope effects on chemical shifts --- isotope ratios --- hydrogen bond energies --- intramolecular hydrogen bonding --- high-accuracy extrapolation methods --- QTAIM --- non-covalent interactions --- local vibrational modes --- hydrogen bond (HB) --- intramolecular hydrogen bond (IHB) --- molecular tailoring approach (MTA) --- fragmentation methods --- bond energy estimation --- noncovalent interactions --- structures and binding energies --- charge-transfer interactions --- spin–spin coupling constants --- polymorphism --- isomerization --- phase transition --- nitro group --- matrix isolation --- IINS --- FT-IR --- Raman --- X-ray --- NQR --- DSC --- DFT --- Schiff base --- N-salicylidene aniline derivative --- photophysical properties --- solvatochromism --- Hirshfeld surface analysis --- amino-alcohols --- α-substitution --- beryllium bonds --- calculated infrared spectra --- interacting quantum atoms --- resonance-assisted hydrogen bond --- Schiff bases --- inelastic incoherent neutron scattering --- isotopic effect --- excited-state intramolecular proton transfer --- photochemistry --- photobiology --- quantum chemistry --- molecular dynamics --- ultrafast processes --- gas phase --- crystalline phase --- MP2 --- CCSD --- AIM --- SAPT --- nuclear quantum effects --- CPMD --- n/a --- spin-spin coupling constants

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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

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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