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Iodine, a key component of thyroid hormones, is considered an essential micronutrient for proper health at all life stages. Indeed, an inadequate dietary intake of iodine is responsible for several functional and developmental abnormalities. The most serious consequences of iodine deficiency include hypothyroidism, early abortion, low birth weight, preterm delivery, neurocognitive impairment, and mental retardation. On the other hand, the consequences of mild-to-moderate iodine deficiency, such as goiter, are less well understood but represent an important priority for research and public health practice. Over the last several decades, many countries across the globe have introduced mandatory salt iodization programs, which have dramatically reduced the number of iodine-deficient countries. However, despite substantial progress worldwide, mild-to-moderate deficiency is still prevalent even in many developed countries. Thus, the ongoing monitoring of the population iodine status remains crucially important, and attention may need to be paid to vulnerable life stage groups.

iodine deficiency --- schoolchildren --- pregnancy --- iodine prophylaxis --- iodine deficiency disorders --- goiter --- hypothyroidism --- nutraceuticals --- thyroid function --- dietary supplements --- urinary iodine concentration --- iodine --- thyroid hormones --- thyroglobulin --- thyroid stimulating hormone --- preterm birth --- small for gestational age --- iodine nutrition status --- thyroid disease --- thyrotropin --- urine iodine --- epidemiologic studies --- Korean --- Republic of Moldova --- salt --- sodium --- potassium --- population --- Iodine Status --- Food Frequency Questionnaire --- iodized salt --- iodine intake --- dairy intake --- adults --- iodine status --- human milk --- lactation --- infant growth --- iodine schoolchildren --- goitre --- iodised salt --- water iodine --- iodine pregnant women --- cadmium --- myo-inositol --- seleno-L-methionine --- thyroid --- MCP-1 --- CXCL10 --- carnitine --- flavonoids --- melatonin --- omega-3 --- resveratrol --- selenium --- vitamins --- zinc --- n/a --- perchlorate --- Natrium/Iodide symporter --- endocrine disruptors --- review --- drinking and Food --- Hypothyroidism

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Iodine, a key component of thyroid hormones, is considered an essential micronutrient for proper health at all life stages. Indeed, an inadequate dietary intake of iodine is responsible for several functional and developmental abnormalities. The most serious consequences of iodine deficiency include hypothyroidism, early abortion, low birth weight, preterm delivery, neurocognitive impairment, and mental retardation. On the other hand, the consequences of mild-to-moderate iodine deficiency, such as goiter, are less well understood but represent an important priority for research and public health practice. Over the last several decades, many countries across the globe have introduced mandatory salt iodization programs, which have dramatically reduced the number of iodine-deficient countries. However, despite substantial progress worldwide, mild-to-moderate deficiency is still prevalent even in many developed countries. Thus, the ongoing monitoring of the population iodine status remains crucially important, and attention may need to be paid to vulnerable life stage groups.

Humanities --- Social interaction --- iodine deficiency --- schoolchildren --- pregnancy --- iodine prophylaxis --- iodine deficiency disorders --- goiter --- hypothyroidism --- nutraceuticals --- thyroid function --- dietary supplements --- urinary iodine concentration --- iodine --- thyroid hormones --- thyroglobulin --- thyroid stimulating hormone --- preterm birth --- small for gestational age --- iodine nutrition status --- thyroid disease --- thyrotropin --- urine iodine --- epidemiologic studies --- Korean --- Republic of Moldova --- salt --- sodium --- potassium --- population --- Iodine Status --- Food Frequency Questionnaire --- iodized salt --- iodine intake --- dairy intake --- adults --- iodine status --- human milk --- lactation --- infant growth --- iodine schoolchildren --- goitre --- iodised salt --- water iodine --- iodine pregnant women --- cadmium --- myo-inositol --- seleno-L-methionine --- thyroid --- MCP-1 --- CXCL10 --- carnitine --- flavonoids --- melatonin --- omega-3 --- resveratrol --- selenium --- vitamins --- zinc --- n/a --- perchlorate --- Natrium/Iodide symporter --- endocrine disruptors --- review --- drinking and Food --- Hypothyroidism

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This book collects contributions published in the Special Issue “From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential” and dealing with successful stories of drug improvement or design using classic protocols, quantum mechanical mechanistic investigation, or hybrid approaches such as QM/MM or QM/ML (machine learning). In the last two decades, computer-aided modeling has strongly supported scientists’ intuition to design functional molecules. High-throughput screening protocols, mainly based on classical mechanics’ atomistic potentials, are largely employed in biology and medicinal chemistry studies with the aim of simulating drug-likeness and bioactivity in terms of efficient binding to the target receptors. The advantages of this approach are quick outcomes, the possibility of repurposing commercially available drugs, consolidated protocols, and the availability of large databases. On the other hand, these studies do not intrinsically provide reactivity information, which requires quantum mechanical methodologies that are only applicable to significantly smaller and simplified systems at present. These latter studies focus on the drug itself, considering the chemical properties related to its structural features and motifs. Overall, such simulations provide necessary insights for a better understanding of the chemistry principles that rule the diseases at the molecular level, as well as possible mechanisms for restoring the physiological equilibrium.

SARS-CoV-2 --- benzoic acid derivatives --- gallic acid --- molecular docking --- reactivity parameters --- selenoxide elimination --- one-pot --- imine-enamine --- reaction mechanism --- DFT calculations --- selenium --- anti-inflammatory drugs --- QSAR --- pain management --- cyclooxygenase --- multitarget drug --- cannabinoid --- neuropathic pain --- clopidogrel --- NMR study --- oxone --- peroxymonosulfate --- sodium halide --- thienopyridine --- drug discovery --- precision medicine --- pharmacodynamics --- pharmacokinetics --- coronavirus SARS-CoV-2 --- COVID-19 --- 3-chymotrypsin-like protease --- pyrimidonic pharmaceuticals --- molecular dynamics simulations --- binding free energy --- β-carrageenan --- antioxidant activity --- Box-Behken --- extraction --- Eucheuma gelatinae --- physic-chemistry --- rheology --- quercetin --- quercetin 3-O-glucuronide --- cisplatin --- nephrotoxicity --- cytoprotection --- lithium therapy --- neurocytology --- toxicology --- neuroprotection --- chemoinformatics --- big data --- methadone hydrochloride --- pharmaceutical solutions --- drug compounding --- high performance liquid chromatography --- stability study --- microbiology --- fucoidan --- alginate --- L-selectin --- E-selectin --- MCP-1 --- ICAM-1 --- THP-1 macrophage --- monocyte migration --- protein binding --- breast milk --- M/P ratio --- statistical modeling --- molecular descriptors --- chromatographic descriptors --- affinity chromatography --- anti-ACE --- anti-DPP-IV --- gastrointestinal digestion --- in silico --- molecular dynamics --- paramyosin --- seafood --- target fishing --- n/a

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The very first marine-derived anticancer drug, Cytarabine (aka Ara-C, Cytosar-U®), was approved by the FDA in 1969 for the treatment of leukemia. At the beginning of 2021, the list of approved marine-derived anticancer drugs consists of nine substances, five of which received approval within the last two years, demonstrating the rapid evolution of the field. The current book is a collection of scientific articles related to the exponentially growing field of anticancer marine compounds. These articles cover the whole field, from agents with cancer-preventive activity, to novel and previously characterized compounds with anticancer activity, both in vitro and in vivo, as well as the latest status of compounds under clinical development.

Medicine --- apoptosis --- fucoidan --- hepatocellular carcinoma --- reactive oxygen species --- 3-alkylpyridinium polymers --- nicotine --- nicotinic acetylcholine receptor --- non-small cell lung carcinoma --- melanoma --- sinulariolide --- proteomic --- mitochondria --- caspase cascade --- marine fungus --- sediment --- anthranilic acid --- Penicillium paneum --- cytotoxicity --- dibromotyrosine --- mitochondrial dysfunction --- oxidative stress --- topoisomerase --- epigonal organ --- bonnethead shark --- Jurkat --- tumor cell line --- hippuristanol --- PEL --- AP-1 --- STAT3 --- Akt --- colorectal cancer --- marine mollusc --- brominated indoles --- shrimp --- chemoprevention --- fatty acids --- carotenoids --- cancer --- nanoparticle --- osteosarcoma --- lung metastasis --- elisidepsin --- lipid rafts --- hydroxylated lipids --- fatty acid 2-hydroxylase --- cooperative binding --- membrane permeabilization --- marine organisms --- polysaccharides --- anticancer --- anticarcinogenic --- mechanisms of action --- fumigaclavine C --- anti-proliferation --- mitochondrial pathway --- anti-cancer --- anti-proliferative --- carotenoid --- cell cycle arrest --- fucoxanthin --- azoxymethane --- bioactive natural product --- isatin --- in vivo model --- Marthasterias glacialis L. --- palmitic acid --- ER-stress --- CHOP --- Antibody Drug Conjugates (ADCs) --- marine antitumor agents --- clinical trials --- approved antitumor agents --- AD0157 --- angiogenesis --- marine drug --- pyrrolidinedione --- secondary metabolites --- cancer preventive --- chemopreventive --- trabectedin --- plitidepsin --- tumor-associated macrophages --- tumor microenvironment --- preclinical --- anticancer immunity --- antiangiogenesis --- fascaplysin --- cyclin-dependent kinase --- small cell lung cancer --- camptothecin --- poly(ADP-ribose)-polymerase inhibitor --- breast cancer --- seaweed --- therapeutic compounds --- autophagy --- marine drugs --- autophagy inhibitors --- autophagy inducers --- macrolide --- programmed cell death --- energy stress --- araguspongine C --- c-Met --- HER2 --- gemcitabine --- pazopanib --- phase I --- safety --- soft tissue sarcoma --- pachastrissamine --- jaspine B --- carbocyclic analogue --- sphingosine kinase inhibitor --- molecular modeling --- ET-743 --- DNA minor groove binder --- soft tissue sarcoma --- chemotherapy --- bis (2,3-dibromo-4,5-dihydroxy-phenyl)-methane (BDDPM) --- anti-metastatic activity --- cell adhesion --- β1-integrin --- FAK --- BEL-7402 cell --- triterpene glycosides --- sea cucumbers --- antitumor activities --- arrest of cell cycle --- antibacterial --- marangucyclines --- deep-sea --- Streptomyces sp. SCSIO 11594 --- LS-1 --- SNU-C5/5-FU --- TGF-β signaling --- carcinoembryonic antigen --- kalkitoxin --- Moorea producens --- mitochondria toxin --- VEGF --- angiogenesis inhibitor --- hypoxia-inducible factor-1 --- HIF-1 --- Lyngbya majuscula --- marine metabolites --- SZ-685C --- nonfunctioning pituitary adenomas --- Ecklonia cava --- phlorotannins --- dieckol --- migration --- sipholenol A --- ABC transporter --- multidrug resistance --- P-gp/ABCB1 --- BCRP/ABCG2 --- MRP1/ABCC1 --- marine natural products --- glioblastoma --- xyloketal B --- proliferation --- TRPM7 --- marine compound --- ribosomal protein genes --- snoRNA --- FAU --- RPS30 --- SNORA62 --- evolution --- Porifera --- Penicillium brevicompactum --- Brevianamide --- Mycochromenic acid derivative --- antifouling --- Caribbean sponge --- plakortide --- endoperoxide --- leukemia --- multi-drug resistant leukemia --- Sarcophyton ehrenbergi --- soft coral --- terpenes --- cembranoids --- cytotoxic activity --- molecular docking --- uveal melanoma --- oxidative stress --- virtual screening --- Topo I inhibitor --- low toxic --- natural product --- Ulva fasciata --- selenium-containing polysaccharide-protein complex --- pseudopterosin --- NF-κB --- p65 --- inflammation --- cytokine release --- IL-6 --- TNFα --- MCP-1 --- glucocorticoid receptor --- paulomycins --- Micromonospora --- antitumor --- Cantabrian Sea-derived actinobacteria --- puupehenones --- sponges --- antiangiogenic --- antitumoral --- porifera/sponge --- cancer genes --- molecular oncology --- bromophenol --- molecular mechanisms --- cell cycle --- PI3K/Akt --- p38/ERK --- ROS --- human lung cancer --- glycosaminoglycans --- antiproliferative --- heparan sulphate --- gliotoxin --- NSCLC --- adriamycin resistance --- Sepia ink polysaccharides --- antitumour --- chemosensitization --- anticoagulation --- sea anemone --- drug discovery --- endothelial cells --- RGD motif --- kunitz type inhibitor --- prostate cancer --- antioxidant --- natural marine compounds --- marine biotechnology --- microalgae --- marine sponges --- Aeroplysinin --- Isofistularin --- pheochromocytoma and paraganglioma --- metastasis --- cancer progression --- cell adhesion molecules --- integrin β1 --- hypoxia --- phycocyanin --- non-small cell lung cancer --- NF-κB signaling --- marine-derived drugs --- bioanalysis --- chromatography --- manzamine A --- epithelial-mesenchymal transition --- lung cancer --- circulating tumor cells --- signal transduction --- cisplatin --- Lampetra morii --- buccal gland --- cystatin F --- anti-angiogenesis --- cystatin superfamily --- Antimicrobial peptide (AMP) --- Tilapia piscidin 4 (TP4) --- non-small cell lung cancer (NSCLC) --- itampolin A --- FBDD --- p38α --- novel inhibitor --- tetracenomycin X --- cyclin D1 --- proteasomal degradation --- p38 --- c-JUN --- λ-carrageenan --- heparanase --- anticoagulant --- depolymerisation --- cell migration --- Aspergillus --- naphthopyrones --- endophytic fungus --- Leathesia nana --- mangrove-derived actinomycete --- ansamycins --- divergolides --- apoptosis-inducing activity --- actinomycin --- EMT --- invasion --- low molecular weight fucoidan extract --- N-Ras --- neuroblastoma-rat sarcoma --- Cancer --- programmed cell death-ligand 1 --- programmed cell death-ligand 2 --- human sarcoma cell line (HT1080 cells) --- human normal diploid fibroblast (TIG-1 cells) --- chimera --- chemical conjugation --- anticancer agent --- hybridization --- α9-nicotinic acetylcholine receptors (nAChRs) --- breast cancer cells --- αO-conotoxin GeXIVA --- targeted therapy --- gorgonian --- Leptogorgia --- humulane sesquiterpenoids --- anticancer activity --- 12-deacetyl-12-epi-scalaradial --- HeLa cells --- Nur77 --- MAPK/ERK pathway --- Mycalin A --- C15 acetogenins --- synthetic analogues --- antiproliferative activity --- A375 and HeLa cell lines --- polyoxygenated steroids --- sponge --- Haliclona gracilis --- Thalassia testudinum --- thalassiolin B --- polyphenols --- CYP1A1 --- benzo[a]pyrene --- JNK1/2 --- natural products --- synergism --- A549 cells --- cytoskeleton --- P2X7 receptor --- pollution --- anti-angiogenic --- gene expression --- HSP90 --- inhibitor --- apoptosis --- fucoidan --- hepatocellular carcinoma --- reactive oxygen species --- 3-alkylpyridinium polymers --- nicotine --- nicotinic acetylcholine receptor --- non-small cell lung carcinoma --- melanoma --- sinulariolide --- proteomic --- mitochondria --- caspase cascade --- marine fungus --- sediment --- anthranilic acid --- Penicillium paneum --- cytotoxicity --- dibromotyrosine --- mitochondrial dysfunction --- oxidative stress --- topoisomerase --- epigonal organ --- bonnethead shark --- Jurkat --- tumor cell line --- hippuristanol --- PEL --- AP-1 --- STAT3 --- Akt --- colorectal cancer --- marine mollusc --- brominated indoles --- shrimp --- chemoprevention --- fatty acids --- carotenoids --- cancer --- nanoparticle --- osteosarcoma --- lung metastasis --- elisidepsin --- lipid rafts --- hydroxylated lipids --- fatty acid 2-hydroxylase --- cooperative binding --- membrane permeabilization --- marine organisms --- polysaccharides --- anticancer --- anticarcinogenic --- mechanisms of action --- fumigaclavine C --- anti-proliferation --- mitochondrial pathway --- anti-cancer --- anti-proliferative --- carotenoid --- cell cycle arrest --- fucoxanthin --- azoxymethane --- bioactive natural product --- isatin --- in vivo model --- Marthasterias glacialis L. --- palmitic acid --- ER-stress --- CHOP --- Antibody Drug Conjugates (ADCs) --- marine antitumor agents --- clinical trials --- approved antitumor agents --- AD0157 --- angiogenesis --- marine drug --- pyrrolidinedione --- secondary metabolites --- cancer preventive --- chemopreventive --- trabectedin --- plitidepsin --- tumor-associated macrophages --- tumor microenvironment --- preclinical --- anticancer immunity --- antiangiogenesis --- fascaplysin --- cyclin-dependent kinase --- small cell lung cancer --- camptothecin --- poly(ADP-ribose)-polymerase inhibitor --- breast cancer --- seaweed --- therapeutic compounds --- autophagy --- marine drugs --- autophagy inhibitors --- autophagy inducers --- macrolide --- programmed cell death --- energy stress --- araguspongine C --- c-Met --- HER2 --- gemcitabine --- pazopanib --- phase I --- safety --- soft tissue sarcoma --- pachastrissamine --- jaspine B --- carbocyclic analogue --- sphingosine kinase inhibitor --- molecular modeling --- ET-743 --- DNA minor groove binder --- soft tissue sarcoma --- chemotherapy --- bis (2,3-dibromo-4,5-dihydroxy-phenyl)-methane (BDDPM) --- anti-metastatic activity --- cell adhesion --- β1-integrin --- FAK --- BEL-7402 cell --- triterpene glycosides --- sea cucumbers --- antitumor activities --- arrest of cell cycle --- antibacterial --- marangucyclines --- deep-sea --- Streptomyces sp. SCSIO 11594 --- LS-1 --- SNU-C5/5-FU --- TGF-β signaling --- carcinoembryonic antigen --- kalkitoxin --- Moorea producens --- mitochondria toxin --- VEGF --- angiogenesis inhibitor --- hypoxia-inducible factor-1 --- HIF-1 --- Lyngbya majuscula --- marine metabolites --- SZ-685C --- nonfunctioning pituitary adenomas --- Ecklonia cava --- phlorotannins --- dieckol --- migration --- sipholenol A --- ABC transporter --- multidrug resistance --- P-gp/ABCB1 --- BCRP/ABCG2 --- MRP1/ABCC1 --- marine natural products --- glioblastoma --- xyloketal B --- proliferation --- TRPM7 --- marine compound --- ribosomal protein genes --- snoRNA --- FAU --- RPS30 --- SNORA62 --- evolution --- Porifera --- Penicillium brevicompactum --- Brevianamide --- Mycochromenic acid derivative --- antifouling --- Caribbean sponge --- plakortide --- endoperoxide --- leukemia --- multi-drug resistant leukemia --- Sarcophyton ehrenbergi --- soft coral --- terpenes --- cembranoids --- cytotoxic activity --- molecular docking --- uveal melanoma --- oxidative stress --- virtual screening --- Topo I inhibitor --- low toxic --- natural product --- Ulva fasciata --- selenium-containing polysaccharide-protein complex --- pseudopterosin --- NF-κB --- p65 --- inflammation --- cytokine release --- IL-6 --- TNFα --- MCP-1 --- glucocorticoid receptor --- paulomycins --- Micromonospora --- antitumor --- Cantabrian Sea-derived actinobacteria --- puupehenones --- sponges --- antiangiogenic --- antitumoral --- porifera/sponge --- cancer genes --- molecular oncology --- bromophenol --- molecular mechanisms --- cell cycle --- PI3K/Akt --- p38/ERK --- ROS --- human lung cancer --- glycosaminoglycans --- antiproliferative --- heparan sulphate --- gliotoxin --- NSCLC --- adriamycin resistance --- Sepia ink polysaccharides --- antitumour --- chemosensitization --- anticoagulation --- sea anemone --- drug discovery --- endothelial cells --- RGD motif --- kunitz type inhibitor --- prostate cancer --- antioxidant --- natural marine compounds --- marine biotechnology --- microalgae --- marine sponges --- Aeroplysinin --- Isofistularin --- pheochromocytoma and paraganglioma --- metastasis --- cancer progression --- cell adhesion molecules --- integrin β1 --- hypoxia --- phycocyanin --- non-small cell lung cancer --- NF-κB signaling --- marine-derived drugs --- bioanalysis --- chromatography --- manzamine A --- epithelial-mesenchymal transition --- lung cancer --- circulating tumor cells --- signal transduction --- cisplatin --- Lampetra morii --- buccal gland --- cystatin F --- anti-angiogenesis --- cystatin superfamily --- Antimicrobial peptide (AMP) --- Tilapia piscidin 4 (TP4) --- non-small cell lung cancer (NSCLC) --- itampolin A --- FBDD --- p38α --- novel inhibitor --- tetracenomycin X --- cyclin D1 --- proteasomal degradation --- p38 --- c-JUN --- λ-carrageenan --- heparanase --- anticoagulant --- depolymerisation --- cell migration --- Aspergillus --- naphthopyrones --- endophytic fungus --- Leathesia nana --- mangrove-derived actinomycete --- ansamycins --- divergolides --- apoptosis-inducing activity --- actinomycin --- EMT --- invasion --- low molecular weight fucoidan extract --- N-Ras --- neuroblastoma-rat sarcoma --- Cancer --- programmed cell death-ligand 1 --- programmed cell death-ligand 2 --- human sarcoma cell line (HT1080 cells) --- human normal diploid fibroblast (TIG-1 cells) --- chimera --- chemical conjugation --- anticancer agent --- hybridization --- α9-nicotinic acetylcholine receptors (nAChRs) --- breast cancer cells --- αO-conotoxin GeXIVA --- targeted therapy --- gorgonian --- Leptogorgia --- humulane sesquiterpenoids --- anticancer activity --- 12-deacetyl-12-epi-scalaradial --- HeLa cells --- Nur77 --- MAPK/ERK pathway --- Mycalin A --- C15 acetogenins --- synthetic analogues --- antiproliferative activity --- A375 and HeLa cell lines --- polyoxygenated steroids --- sponge --- Haliclona gracilis --- Thalassia testudinum --- thalassiolin B --- polyphenols --- CYP1A1 --- benzo[a]pyrene --- JNK1/2 --- natural products --- synergism --- A549 cells --- cytoskeleton --- P2X7 receptor --- pollution --- anti-angiogenic --- gene expression --- HSP90 --- inhibitor