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Two review papers, eight research articles, and one brief report were published in this Special Issue. They showed the rich resources that are present within the genomes of marine microorganisms and discussed the use of recently developed tools and technologies to exploit this genetic richness. Examples include the rational supply of precursors according to the relevant biosynthetic pathway and stress driven discovery together with the use of histone deacetylase inhibitors to facilitate the discovery of new bioactive molecules with potential biopharmaceutical applications. We believe that the content of this Special Issue reflects the current state-of-the-art research in this area and highlights the interesting strategies that are being employed to uncover increasing numbers of exciting novel compounds for drug discovery from marine genetic resources.

antibacterial activity --- polyketide synthase --- halo-extremophyles --- antibacterial --- gene cluster --- Penicillium chrysogenum --- bacillomycin --- secondary metabolites --- drug discovery --- biosynthesis --- polycyclic tetramate macrolactams --- actinobacteria --- biosynthetic gene clusters --- phylotype --- comparative genomics --- IclR family regulator --- polyketide antibiotics --- antifungal --- fatty acid amide --- Antarctica --- marine microorganisms --- NdgRyo --- nonribosomal peptides --- Marisediminicola --- genome mining --- antimicrobial --- sponge --- Stachybotrys --- carotenoid --- marine --- archaea --- haloenzymes --- natural products --- Streptomyces sp. SCSIO 40010 --- 16S rRNA metagenomics --- ecotype --- medicinal chemistry --- cytotoxicity --- marine natural products (MNPs) --- Streptomyces --- marine Bacillus --- antimicrobial activity --- amino compound --- bacillibactin --- meroterpenoid --- fibrinolytic activity --- metal stress technique --- isoindolinone biosynthesis --- Streptomyces pratensis --- histone-deacetylase inhibitor --- marine natural product --- Odiel marshlands

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Dual specificity phosphatases (DUSPs) constitute a heterogeneous group of protein tyrosine phosphatases with the ability to dephosphorylate Ser/Thr and Tyr residues from proteins, as well as from other non-proteinaceous substrates including signaling lipids. DUSPs include, among others, MAP kinase (MAPK) phosphatases (MKPs) and small-size atypical DUSPs. MKPs are enzymes specialized in regulating the activity and subcellular location of MAPKs, whereas the function of small-size atypical DUSPs seems to be more diverse. DUSPs have emerged as key players in the regulation of cell growth, differentiation, stress response, and apoptosis. DUSPs regulate essential physiological processes, including immunity, neurobiology and metabolic homeostasis, and have been implicated in tumorigenesis, pathological inflammation and metabolic disorders. Accordingly, alterations in the expression or function of MKPs and small-size atypical DUSPs have consequences essential to human disease, making these enzymes potential biological markers and therapeutic targets. This Special Issue covers recent advances in the molecular mechanisms and biological functions of MKPs and small-size atypical DUSPs, and their relevance in human disease.

hematopoietic cells --- DEPArray --- n/a --- neuroblastoma --- liver steatosis --- MAPK phosphatase --- DUSP-4 --- granule neurons --- neuronal differentiation --- DUSP10 --- cytokines --- MAPKs --- single cell analysis --- macrophage --- asthma --- E. coli infection --- MAPK --- Cpp1 --- nucleotide receptors --- atypical DUSP --- RSV --- Pmp1 --- cannabinoids --- astrocytes --- sepsis --- influenza --- signaling --- triple-negative breast cancer (TNBC) --- differentiation --- HDAC6 (histone deacetylase isoform 6) --- atypical dual-specificity phosphatases --- microtubules --- respiratory viruses --- MK-STYX (MAPK (mitogen-activated protein kinase) phosphoserine/threonine/tyrosine-binding protein) --- dual-specificity phosphatase --- Msg5 --- TLR signaling --- mitogen-activated protein kinase --- fungal MKPs --- macrophages --- MAP Kinase Phosphatase-2 --- inflammation --- Sdp1 --- circulating tumor cells (CTCs) --- MAP kinases --- MAP kinase phosphatases --- P2X7 --- proliferation --- BDNF --- P2Y13 --- T cell --- hypertriglyceridemia --- integrated omics analysis --- post-translational modification --- rhinovirus --- protein stability --- ubiquitination --- dual-specificity phosphatases --- Mkp-1 --- cancer --- brain metastasis --- HER2 --- COPD --- pseudophosphatase

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This Special Issue provides an update on the state of the art and current trends in polymeric drug-delivery systems specifically designed for improving drug bioavailability. The multiple contributions received further strengthen the role of polymers in modern drug delivery and targeting, illustrating the different approaches possible and unveiling what the future may bring.

Medicine --- Pharmaceutical industries --- cystic fibrosis --- Pseudomonas aeruginosa --- liposomes --- efflux pump inhibitor --- PABN --- aminoglycosides --- macrolides --- poloxamer --- thiourea --- thiolation --- mucoadhesion --- drug release --- in vivo analysis --- in vitro dissolution studies --- S-propargyl-cysteine --- poly(lactic acid) --- endogenous hydrogen sulfide --- water-in-oil-in-water --- rheumatoid arthritis --- chitosan --- drug delivery --- drug absorption --- intestinal assimilation --- oral bioavailability --- nanoemulsions --- micelles --- SEDDS --- zeta potential --- sustained release --- albumin nanoparticle --- MPT0B291 --- high-pressure homogenizer --- histone deacetylase --- calix[8]arenes --- silibinin --- inclusion complexes --- PEGylation --- cytotoxicity --- oromucosal films --- sodium alginate --- nanoparticle drug carriers --- digoxin --- zein --- heart failure --- polymer–liposome complexes --- Pluronic®-poly(acrylic acid) --- Pluronic®-poly(N,N-dimethylaminoethyl methacrylate) --- stimuli-responsive --- intelligent drug delivery systems --- liposome --- polymer --- long circulation --- polymer–lipid conjugates --- targeting --- stimulus-responsive --- antibody --- affinity --- cyclodextrin --- protein therapeutics --- sustained drug delivery --- Nitric oxide --- hydrogel --- wound dressing --- chronic wounds --- glycyrrhetinic acid --- Soluplus® --- solid dispersions --- anti-inflammatory --- biosafety --- bioavailability --- n/a --- polymer-liposome complexes --- polymer-lipid conjugates

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This book is a collection of original research articles in the field of computer-aided drug design. It reports the use of current and validated computational approaches applied to drug discovery as well as the development of new computational tools to identify new and more potent drugs.

3D-QSAR --- pharmacophore modeling --- ligand-based model --- HDACs --- isoform-selective histone deacetylase inhibitors --- aminophenylbenzamide --- hERG toxicity --- drug discovery --- fingerprints --- machine learning --- deep learning --- gene expression signature --- drug repositioning approaches --- RNA expression regulation --- high-throughput virtual screening --- dual-target lead discovery --- neurodegenerative disorders --- Alzheimer’s disease --- dual mode of action --- multi-modal --- nicotinic acetylcholine receptor --- acetylcholinesterase --- molecular docking --- methotrexate --- drug resistance --- human dihydrofolate reductase --- virtual screening --- molecular dynamics simulation. --- epitope binning --- epitope mapping --- epitope prediction --- antibody:antigen interactions --- protein docking --- glycoprotein D (gD) --- herpes simplex virus fusion proteins --- Src inhibitors --- pharmacophore model --- molecular dynamics simulations --- in silico --- COX-2 inhibitors --- molecular modeling --- sodium–glucose co-transporters 2 --- FimH --- uropathogenic bacteria --- urinary tract infections --- diabetes --- drug-resistance mutations --- HIV-2 protease --- structural characterization --- induced structural deformations --- SARS-CoV-2 --- COVID-19 --- multiprotein inhibiting natural compounds --- MD simulation --- 3CL-Pro --- antivirals --- docking simulations --- drug repurposing --- consensus models --- binding space --- isomeric space --- MRP4 --- SNPs --- variants --- protein threading modeling --- molecular dynamics --- binding site --- hTSPO --- PK11195 --- cholesterol --- homology modeling --- molecular dynamics (MD) simulation --- carbon nanotubes --- Stone–Wales defects --- haeckelite defects --- doxorubicin encapsulation --- drug delivery system --- binding free energies --- noncovalent interactions --- main protease --- mutants --- inhibitors --- PF-00835231 --- Mycobacterium tuberculosis --- tuberculosis --- proteasome --- natural compounds --- multiscale --- multitargeting --- polypharmacology --- computational biology --- drug repositioning --- structural bioinformatics --- proteomic signature --- skin aging --- oxidative stress --- aging progression mechanism --- genome-wide genetic and epigenetic network (GWGEN) --- systems medicine design --- multiple-molecule drug --- immunoproteasome --- non-covalent inhibitors --- MD binding --- metadynamics --- induced-fit docking --- n/a --- Alzheimer's disease --- sodium-glucose co-transporters 2 --- Stone-Wales defects

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This book is conceived to promote synergy between research and industrial activities in the design and development of new drugs and, therefore, is not limited to any specific aspect of development. It covers the entire process from the identification of a molecular target, studies of drug–protein interactions, the modeling and optimization of the functional activity, design and chemical synthesis, biological evaluation, and the development of new pharmaceutical carriers.The original articles and reviews are focused on the design and development of new anticancer treatments, new anticancer low-molecular-weight agents as potential drug substances, and the elucidation of their mechanisms of action. The book also includes studies on novel modulators of the serotonergic system used to treat central nervous system disorders, novel agents against infectious diseases, and the development of anti-plasmodial and anti-inflammatory agents. The successful identification of new compounds for development as drug substances comes from rich sources of medicinal plants and medicinal chemistry approaches.

alpha-ketoglutarate --- cell cycle --- apoptosis --- JNK --- cell migration --- cell invasion --- TGF-β --- VEGF --- glycoconjugates --- methotrexate --- cancer treatment --- glucose metabolism --- drug design and discovery --- anticancer drugs --- targeted therapy --- Warburg effect --- antidepressants --- pyrido[1,2-c]pyrimidines --- dual 5-HT1A/SERT activity --- drug design --- anticancer activity --- lung cancer --- resveratrol --- PRI-2191 --- vitamin D --- active substance delivery systems --- biomedical hydrogels --- active substance-controlled release --- genistein --- hydrogels for cosmetology --- hydrogels for dermatology --- transdermal active substance delivery systems --- histone deacetylase (HDAC) --- depression --- biomarker --- anti-depressant therapy --- human DNA topoisomerase --- cancer --- drug --- molecular docking --- synthesis --- fluorine --- vitamin D3 --- metabolite --- A-ring --- CD-ring --- side-chain --- nanoparticles --- molecular modeling --- oxidation mechanisms --- electrochemistry --- MALDI --- spectroscopic data --- cytotoxic study --- self-assembled monolayer --- gold electrode --- multimodal activity --- calcium-sensing receptor --- enantiomer --- calcimimetic --- calcilytic --- colon cancer --- stereospecificity --- HT-29 --- IL-8 --- inflammation --- cyclooxygenase --- 1,2,4-triazole --- pyridazinone --- SAR --- anti-inflammatory activity --- antioxidant activity --- ADME --- anticancer drug --- antimicrobial peptide (AMP) --- dermaseptin --- frog skin peptides --- LHRH --- prostate cancer --- Phyllomedusa bicolor --- therapeutic peptides --- copper (II) complexes --- thiourea --- cytotoxic activity --- proteome analysis --- antimicrobial activity --- major latex protein --- Chelidonium majus --- greater celandine --- defense-related proteins --- alkaloids --- cancer cells --- vitamin D receptor --- split luciferase-based biosensor --- CYP24A1-dependent metabolism --- CYP27B1 --- rickets --- genome editing --- vitamin D biology and action --- transcription --- ChIP-chip analysis --- distal enhancers --- histone H3 acetylation --- RNA polymerase II --- analogue actions at genes --- vitamin D hormone (1,25(OH)2D3) --- latex --- antiviral proteins --- antimicrobial compounds --- cytotoxicity --- drug discovery --- CRISPR/Cas9 --- tetrahydro-β-carbolines --- Plasmodium falciparum (P. falciparum) --- antimalarial --- antiparasitic agents --- hemolysis --- vitamin D analogs --- 25 vitamin D 24-hydroxylase --- CYP24A1 --- proliferation --- high-grade serous ovarian cancer cells --- gold --- Au(III) complex --- colorectal cancer --- organometallic --- cancer therapy --- metallodrugs --- n/a