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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

computational chemistry --- enzyme catalysis --- DFT --- QM/MM --- molecular modeling --- molecular dynamics

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Interest in understanding the biological role of carbohydrates has increased significantly over the last 20 years. The use of structural techniques to understand carbohydrate-protein recognition is still a relatively young area, but one that is of emerging importance. The high flexibility of carbohydrates significantly complicates the determination of high quality structures of their complexes with proteins. Specialized techniques are often required to understand the complexity of carbohydrate recognition by proteins. In this Research Topic, we will focus on structural and computational approaches to understanding carbohydrate recognition by proteins involved in immunity and infection. Particular areas of focus include cancer immunotherapeutics, carbohydrate-lectin interactions, glycosylation and glycosyltransferases.

Glycomics. --- infection --- signaling --- molecular modeling --- cancer immunotherapy --- lectins --- molecular recognition --- structural biology --- glycobiology

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Biological Phenomena --- Biophysics --- Molecular biology --- Biologie moléculaire --- Biophysique --- Periodicals. --- Periodicals --- Périodiques --- Biological Phenomena. --- Biophysics. --- Biological physics --- Mechanobiology --- Biologic Phenomena --- Biological Phenomenon --- Biological Process --- Phenomena, Biological --- Biological Processes --- Phenomena, Biologic --- Phenomenon, Biological --- Process, Biological --- Processes, Biological --- molecular biosciences --- cells --- molecular biology --- quantitative biology --- Biology --- Medical sciences --- Physics --- Biology - General --- molecular biology --- biochemistry --- structural biology --- molecular therapeutics --- molecular modeling

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Over 70% of the Earth’s surface is covered by oceans and seas, which are massively complex and consist of diverse assemblages of life forms. Marine bacteria, fungi, and other microorganisms develop unique metabolic and physiological capabilities that enable them to survive in extreme habitats and to produce compounds that might not be produced by their terrestrial counterparts. In the last few decades, the systematic investigations of marine/marine-derived microorganisms as sources of novel biologically active agents has exponentially increased. This Special Issue will focus on aspects relating to new bioactive metabolites from marine microorganisms including the isolation, taxonomy, and/or dereplication of microorganisms and the corresponding isolation, structure elucidation, biosynthesis, and/or biological activities of the new compounds. Comprehensive topical review articles relating to marine metabolites will also be considered.

co-culture --- marine microbes --- natural products --- structural diversity --- biological activities --- food allergy --- deep-sea-derived viridicatol --- X-ray single crystal --- intestinal barrier --- mast cell --- calcium influx --- Chlorella --- enzymes --- lipases --- molecular modeling --- sulfated polysaccharides --- antiviral --- SARS-CoV-2 --- docking --- molecular dynamic simulations --- sea cucumber --- bioactivity --- diversity --- microorganism --- polyketides --- alkaloids --- marine-derived fungus --- Penicillium sp. --- indole-diterpenoids --- cytotoxicity --- antibacterial activity --- Leizhou Peninsula --- mangrove soil --- actinomycetia --- antimicrobial activity --- secondary metabolites --- dereplication --- metabolomics tools --- trioxacarcins --- mansouramycins --- isoquinolinequinones --- marine-derived Streptomyces sp. --- n/a

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This book focuses of the neurotransmission phenomenon. By definition, neurotransmitters are chemicals that enable communication, i.e., the flow of nerve impulses between nerve cells or between nerve cells and muscles and glands. Recently, one can distinguish excitatory and inhibitory mediators, both of which are endo–exogenous compounds that control the function of the whole organism. From a chemical point of view, neurotransmitters belong to many different structural groups, such as amino acids (such as glycine), peptides (such as substance P, somatostatin), monoamines (such as noradrenaline or dopamine), purine derivatives (such as adenosine), gases (such as nitrogen, NO, carbon monoxide CO), and acetylcholine. From a medical point of view, disturbances in the concentration of neurotransmitters in the body result in the occurrence of mental disorders and diseases (such as depression, schizophrenia, Parkinson’s disease) and contribute to the occurrence of dementia (including Alzheimer’s disease), among other diseases. However, the problem is much wider. These disorders can lead to a number of cardiovascular diseases and can lead to the development of vascular diseases of the brain as well as in many other organs. Therefore, pharmacological intervention is a therapy that tries to interfere with regulatory processes year after year. Such treatments improve survival, reduce the frequency of readmission, and improve patients' quality of life.

white matter hyperintensities --- dysautonomia --- genetic polymorphisms --- dementia --- levodopa --- renin-angiotensin system --- orthostatic hypotension --- reserpine-induced fibromyalgia model --- vortioxetine --- ropinirole --- serotonin and dopamine in fibromyalgia --- mouse --- dopamine --- acetylcholine --- glutamate --- BDNF --- serotonin --- neurotransmitters --- statins --- neurodegenerative diseases --- stroke --- depression --- androgenetic alopecia --- 3-hydroxy-3-methylglutaryl coenzyme A reductase inhibitors --- mixed dyslipidemia --- risk factors --- halogenated pyrazolines --- monoamine oxidase inhibitors --- kinetics --- reversibility --- molecular dynamics --- guanylate cyclase (GC) --- chronic heart failure (CHF) --- pulmonary arterial hypertension (PAH) --- tiagabine --- cardiac voltage-gated ion channels --- molecular modeling --- ECG study --- SGLT2i --- sodium-glucose cotransporter 2 inhibitors --- neuroprotection --- atheroprotection --- mTOR --- type 2 diabetes mellitus --- cognitive impairment --- inflammation --- oxidative stress --- antibiotics --- neurotoxicity --- adverse drug reaction --- neurotransmission --- 5-HT receptors --- gastrointestinal tract