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2022 (4)

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Book
In Silico Strategies for Prospective Drug Repositionings
Authors: --- --- ---
ISBN: 3036561331 303656134X Year: 2022 Publisher: Basel MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

The discovery of new drugs is one of pharmaceutical research's most exciting and challenging tasks. Unfortunately, the conventional drug discovery procedure is chronophagous and seldom successful; furthermore, new drugs are needed to address our clinical challenges (e.g., new antibiotics, new anticancer drugs, new antivirals).Within this framework, drug repositioning—finding new pharmacodynamic properties for already approved drugs—becomes a worthy drug discovery strategy.Recent drug discovery techniques combine traditional tools with in silico strategies to identify previously unaccounted properties for drugs already in use. Indeed, big data exploration techniques capitalize on the ever-growing knowledge of drugs' structural and physicochemical properties, drug–target and drug–drug interactions, advances in human biochemistry, and the latest molecular and cellular biology discoveries.Following this new and exciting trend, this book is a collection of papers introducing innovative computational methods to identify potential candidates for drug repositioning. Thus, the papers in the Special Issue In Silico Strategies for Prospective Drug Repositionings introduce a wide array of in silico strategies such as complex network analysis, big data, machine learning, molecular docking, molecular dynamics simulation, and QSAR; these strategies target diverse diseases and medical conditions: COVID-19 and post-COVID-19 pulmonary fibrosis, non-small lung cancer, multiple sclerosis, toxoplasmosis, psychiatric disorders, or skin conditions.


Book
Marine Drug Research in China: Selected Papers from the 15-NASMD Conference
Authors: --- ---
Year: 2022 Publisher: Basel MDPI Books

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Abstract

The Book covers this whole field, from the discovery of structurally new and bioactive natural products (including biomacromolecules), from marine macro-/micro-organisms, to the pharmacodynamics, pharmacokinetics, metabolisms, and mechanisms of marine-derived lead compounds, both in vitro and in vivo, along with the synthesis and/or structural optimization of marine-derived lead compounds and their structure–activity relationships. Taken together, this Special Issue reprint not only provides inspiration for the discovery of marine-derived novel bioactive compounds, but also sheds light on the further research and development of marine candidate drugs.

Keywords

Medicine --- Antarctic krill (Euphausia superba) --- peptide --- antioxidant activity --- stability --- oyster --- plasma --- peptidome --- antimicrobial peptides --- cytotoxicity --- actinomycete --- piericidins --- absolute configuration --- Pestalotiopsis heterocornis --- heterocornols --- anti-inflammatory activity --- sponge-derived fungus --- sclerotides --- lipodepsipeptide --- Aspergillus sclerotiorum --- nasopharyngeal carcinoma --- AChE inhibitory --- vascular endothelial cell --- flavonoid --- oxidized low-density lipoprotein --- Nrf2 --- apoptosis --- butyrolactone I --- food allergy --- metabolism --- pharmacokinetics --- actinomycin X2 --- microbial pigments --- dyeing --- silk --- antibacterial properties --- PD-L1 --- virtual screening --- pharmacophore modeling --- ADME --- molecular dynamics --- xanthones --- ascidian-derived fungus --- Diaporthe sp. --- anti-glioma activity --- antiaging --- Sonneratia apetala --- signaling pathway --- Caenorhabditis elegans --- mutants --- coral-derived fungi --- Aspergillus hiratsukae --- meroterpenoids --- antibacterial activity --- cytotoxic activity --- deep-sea-derived fungus --- Aspergillus puniceus --- isoquinoline alkaloid --- protein tyrosine phosphatase inhibitor --- antibacterial --- Aspergillus sp. --- geodin --- semisynthesize --- insecticidal activity --- Arca inflata --- antitumor peptide --- MAPK signaling --- calmodulin --- colorectal cancer --- methicillin-resistant Staphylococcus aureus --- actinomycin D --- Streptomyces parvulus --- mechanism --- mangrove endophytic Pestalotiopsis --- Sdy-1 --- antitumor activity --- Wnt signaling --- β-catenin --- eremophilane sesquiterpenoids --- mangrove-derived fungus --- Penicillium sp. --- Oceanapia --- sponge --- secondary metabolites --- biological activities --- drug design --- anticancer --- cyclic pentapeptide --- galaxamide analogues --- skipjack tuna (Katsuwonus pelamis) muscle --- angiotensin-I-converting enzyme (ACE) peptide --- molecular docking --- nitric oxide (NO) --- endothelin-1 (ET-1) --- Trichoderma longibrachiatum --- sesquiterpene glycoside --- antimicrobial activity --- marine fungi --- Aspergillus unguis --- depsides --- depsidones --- osteoclast differentiation --- soft-coral-derived fungus --- pyranodipyran derivatives --- tyrosyl DNA phosphodiesterase 1 inhibitory activities --- fluorescent properties --- butenolides --- enantiomers --- Aspergillus terreus --- pancreatic lipase --- NAFLD --- fucoxanthin --- adenosine monophosphate-activated protein kinase (AMPK) --- nuclear factor erythroid-2-related factor 2-mediated (Nrf2) --- Toll-like receptor 4-mediated (TLR4) --- Aspergillus flavipes HN4-13 --- emodin --- macroporous resin XAD-16 --- adsorption kinetics and isotherms --- enrichment --- tetramic acid derivatives --- deep-sea fungus --- clavipitacae --- Lecanicillium fusisporum --- chronic kidney disease --- fucoidan --- cognitive dysfunction --- neuroinflammation --- oxidative stress --- GSK3β-Nrf2-HO-1 signaling --- microglial polarization --- deep-sea actinomycetes --- aromatic acids --- oximes --- antihyperlipidemic --- phycocyanin --- microbiota --- transcriptome --- IL-17 pathway --- Hahella --- prodiginine --- chejuenlide --- genome mining --- LC-MS/MS --- CDK4/6 --- marine compounds --- pharmacophore construction --- ADMET --- mm-pbsa


Book
Marine Drug Research in China: Selected Papers from the 15-NASMD Conference
Authors: --- ---
Year: 2022 Publisher: Basel MDPI Books

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Abstract

The Book covers this whole field, from the discovery of structurally new and bioactive natural products (including biomacromolecules), from marine macro-/micro-organisms, to the pharmacodynamics, pharmacokinetics, metabolisms, and mechanisms of marine-derived lead compounds, both in vitro and in vivo, along with the synthesis and/or structural optimization of marine-derived lead compounds and their structure–activity relationships. Taken together, this Special Issue reprint not only provides inspiration for the discovery of marine-derived novel bioactive compounds, but also sheds light on the further research and development of marine candidate drugs.

Keywords

Medicine --- Antarctic krill (Euphausia superba) --- peptide --- antioxidant activity --- stability --- oyster --- plasma --- peptidome --- antimicrobial peptides --- cytotoxicity --- actinomycete --- piericidins --- absolute configuration --- Pestalotiopsis heterocornis --- heterocornols --- anti-inflammatory activity --- sponge-derived fungus --- sclerotides --- lipodepsipeptide --- Aspergillus sclerotiorum --- nasopharyngeal carcinoma --- AChE inhibitory --- vascular endothelial cell --- flavonoid --- oxidized low-density lipoprotein --- Nrf2 --- apoptosis --- butyrolactone I --- food allergy --- metabolism --- pharmacokinetics --- actinomycin X2 --- microbial pigments --- dyeing --- silk --- antibacterial properties --- PD-L1 --- virtual screening --- pharmacophore modeling --- ADME --- molecular dynamics --- xanthones --- ascidian-derived fungus --- Diaporthe sp. --- anti-glioma activity --- antiaging --- Sonneratia apetala --- signaling pathway --- Caenorhabditis elegans --- mutants --- coral-derived fungi --- Aspergillus hiratsukae --- meroterpenoids --- antibacterial activity --- cytotoxic activity --- deep-sea-derived fungus --- Aspergillus puniceus --- isoquinoline alkaloid --- protein tyrosine phosphatase inhibitor --- antibacterial --- Aspergillus sp. --- geodin --- semisynthesize --- insecticidal activity --- Arca inflata --- antitumor peptide --- MAPK signaling --- calmodulin --- colorectal cancer --- methicillin-resistant Staphylococcus aureus --- actinomycin D --- Streptomyces parvulus --- mechanism --- mangrove endophytic Pestalotiopsis --- Sdy-1 --- antitumor activity --- Wnt signaling --- β-catenin --- eremophilane sesquiterpenoids --- mangrove-derived fungus --- Penicillium sp. --- Oceanapia --- sponge --- secondary metabolites --- biological activities --- drug design --- anticancer --- cyclic pentapeptide --- galaxamide analogues --- skipjack tuna (Katsuwonus pelamis) muscle --- angiotensin-I-converting enzyme (ACE) peptide --- molecular docking --- nitric oxide (NO) --- endothelin-1 (ET-1) --- Trichoderma longibrachiatum --- sesquiterpene glycoside --- antimicrobial activity --- marine fungi --- Aspergillus unguis --- depsides --- depsidones --- osteoclast differentiation --- soft-coral-derived fungus --- pyranodipyran derivatives --- tyrosyl DNA phosphodiesterase 1 inhibitory activities --- fluorescent properties --- butenolides --- enantiomers --- Aspergillus terreus --- pancreatic lipase --- NAFLD --- fucoxanthin --- adenosine monophosphate-activated protein kinase (AMPK) --- nuclear factor erythroid-2-related factor 2-mediated (Nrf2) --- Toll-like receptor 4-mediated (TLR4) --- Aspergillus flavipes HN4-13 --- emodin --- macroporous resin XAD-16 --- adsorption kinetics and isotherms --- enrichment --- tetramic acid derivatives --- deep-sea fungus --- clavipitacae --- Lecanicillium fusisporum --- chronic kidney disease --- fucoidan --- cognitive dysfunction --- neuroinflammation --- oxidative stress --- GSK3β-Nrf2-HO-1 signaling --- microglial polarization --- deep-sea actinomycetes --- aromatic acids --- oximes --- antihyperlipidemic --- phycocyanin --- microbiota --- transcriptome --- IL-17 pathway --- Hahella --- prodiginine --- chejuenlide --- genome mining --- LC-MS/MS --- CDK4/6 --- marine compounds --- pharmacophore construction --- ADMET --- mm-pbsa


Book
Marine Drug Research in China: Selected Papers from the 15-NASMD Conference
Authors: --- ---
Year: 2022 Publisher: Basel MDPI Books

Loading...
Export citation

Choose an application

Bookmark

Abstract

The Book covers this whole field, from the discovery of structurally new and bioactive natural products (including biomacromolecules), from marine macro-/micro-organisms, to the pharmacodynamics, pharmacokinetics, metabolisms, and mechanisms of marine-derived lead compounds, both in vitro and in vivo, along with the synthesis and/or structural optimization of marine-derived lead compounds and their structure–activity relationships. Taken together, this Special Issue reprint not only provides inspiration for the discovery of marine-derived novel bioactive compounds, but also sheds light on the further research and development of marine candidate drugs.

Keywords

Antarctic krill (Euphausia superba) --- peptide --- antioxidant activity --- stability --- oyster --- plasma --- peptidome --- antimicrobial peptides --- cytotoxicity --- actinomycete --- piericidins --- absolute configuration --- Pestalotiopsis heterocornis --- heterocornols --- anti-inflammatory activity --- sponge-derived fungus --- sclerotides --- lipodepsipeptide --- Aspergillus sclerotiorum --- nasopharyngeal carcinoma --- AChE inhibitory --- vascular endothelial cell --- flavonoid --- oxidized low-density lipoprotein --- Nrf2 --- apoptosis --- butyrolactone I --- food allergy --- metabolism --- pharmacokinetics --- actinomycin X2 --- microbial pigments --- dyeing --- silk --- antibacterial properties --- PD-L1 --- virtual screening --- pharmacophore modeling --- ADME --- molecular dynamics --- xanthones --- ascidian-derived fungus --- Diaporthe sp. --- anti-glioma activity --- antiaging --- Sonneratia apetala --- signaling pathway --- Caenorhabditis elegans --- mutants --- coral-derived fungi --- Aspergillus hiratsukae --- meroterpenoids --- antibacterial activity --- cytotoxic activity --- deep-sea-derived fungus --- Aspergillus puniceus --- isoquinoline alkaloid --- protein tyrosine phosphatase inhibitor --- antibacterial --- Aspergillus sp. --- geodin --- semisynthesize --- insecticidal activity --- Arca inflata --- antitumor peptide --- MAPK signaling --- calmodulin --- colorectal cancer --- methicillin-resistant Staphylococcus aureus --- actinomycin D --- Streptomyces parvulus --- mechanism --- mangrove endophytic Pestalotiopsis --- Sdy-1 --- antitumor activity --- Wnt signaling --- β-catenin --- eremophilane sesquiterpenoids --- mangrove-derived fungus --- Penicillium sp. --- Oceanapia --- sponge --- secondary metabolites --- biological activities --- drug design --- anticancer --- cyclic pentapeptide --- galaxamide analogues --- skipjack tuna (Katsuwonus pelamis) muscle --- angiotensin-I-converting enzyme (ACE) peptide --- molecular docking --- nitric oxide (NO) --- endothelin-1 (ET-1) --- Trichoderma longibrachiatum --- sesquiterpene glycoside --- antimicrobial activity --- marine fungi --- Aspergillus unguis --- depsides --- depsidones --- osteoclast differentiation --- soft-coral-derived fungus --- pyranodipyran derivatives --- tyrosyl DNA phosphodiesterase 1 inhibitory activities --- fluorescent properties --- butenolides --- enantiomers --- Aspergillus terreus --- pancreatic lipase --- NAFLD --- fucoxanthin --- adenosine monophosphate-activated protein kinase (AMPK) --- nuclear factor erythroid-2-related factor 2-mediated (Nrf2) --- Toll-like receptor 4-mediated (TLR4) --- Aspergillus flavipes HN4-13 --- emodin --- macroporous resin XAD-16 --- adsorption kinetics and isotherms --- enrichment --- tetramic acid derivatives --- deep-sea fungus --- clavipitacae --- Lecanicillium fusisporum --- chronic kidney disease --- fucoidan --- cognitive dysfunction --- neuroinflammation --- oxidative stress --- GSK3β-Nrf2-HO-1 signaling --- microglial polarization --- deep-sea actinomycetes --- aromatic acids --- oximes --- antihyperlipidemic --- phycocyanin --- microbiota --- transcriptome --- IL-17 pathway --- Hahella --- prodiginine --- chejuenlide --- genome mining --- LC-MS/MS --- CDK4/6 --- marine compounds --- pharmacophore construction --- ADMET --- mm-pbsa

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