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Molecules, Volume 25, Issue 6

2020 March-2 - 218 articles

Cover Story: Of all the human copper-containing amine oxidases, human vascular adhesion protein-1 is a specific target in drug design for the treatment of inflammatory diseases and cancer, though off-targeting of diamine oxidase should be avoided. As part of the Special Issue “Design and Application of Metal-Binding Proteins” with Guest Editor Dr. Aimin Liu, we review the structural bioinformatics and structural biology approaches that can be employed to minimize the species-specific binding properties of vascular adhesion protein-1-targeted inhibitors and improve drug safety by avoiding their binding to diamine oxidase. The 3D fold of copper-containing amine oxidase is shown on the cover. View this paper.
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Articles (218)

  • Article
  • Open Access
14 Citations
4,615 Views
11 Pages

Antinociceptive Effect of Hinokinin and Kaurenoic Acid Isolated from Aristolochia odoratissima L.

  • Rosa Mariana Montiel-Ruiz,
  • Marcos Córdova-de la Cruz,
  • Manasés González-Cortázar,
  • Alejandro Zamilpa,
  • Abraham Gómez-Rivera,
  • Ricardo López-Rodríguez,
  • Carlos Ernesto Lobato-García and
  • Ever A. Blé-González

24 March 2020

Aristolochia odoratissima L. is employed for the treatment of pain and as an antidote against the poison of venomous animals in traditional medicine. However, reports have not been found, to our knowledge, about the evaluation of the antinociceptive...

(This article belongs to the Special Issue Natural Products: From Isolation and Identification to Biological Activity)
  • Article
  • Open Access
31 Citations
5,876 Views
19 Pages

24 March 2020

Polyamide 6,6 (PA66)-based biocomposites with low-cost carbonaceous natural fibers (i.e., soy hulls, co-product from soybean industry) were prepared through twin-screw extrusion and injection molding. The soy hull natural fiber was pyrolyzed at two d...

(This article belongs to the Special Issue Advances in Natural Fiber Composites and Their Interfacial Adhesion)
  • Article
  • Open Access
25 Citations
7,272 Views
18 Pages

Carbon and Nitrogen Isotope Ratios of Food and Beverage in Brazil

  • Luiz A. Martinelli,
  • Gabriela B. Nardoto,
  • Maria A. Z. Perez,
  • Geraldo Arruda Junior,
  • Fabiana C. Fracassi,
  • Juliana G. G. Oliveira,
  • Isadora S. Ottani,
  • Sarah H. Lima,
  • Edmar A. Mazzi and
  • Plinio B. Camargo
  • + 7 authors

24 March 2020

Several previous studies on targeted food items using carbon and nitrogen stable isotope ratios in Brazil have revealed that many of the items investigated are adulterated; mislabeled or even fraud. Here, we present the first Brazilian isotopic basel...

(This article belongs to the Special Issue Isotopic Techniques for Food Science)
  • Article
  • Open Access
22 Citations
4,983 Views
16 Pages

Oligomeric Procyanidin Nanoliposomes Prevent Melanogenesis and UV Radiation-Induced Skin Epithelial Cell (HFF-1) Damage

  • Yashu Chen,
  • Fenghong Huang,
  • David Julian McClements,
  • Bijun Xie,
  • Zhida Sun and
  • Qianchun Deng

24 March 2020

The potential protective effect of nanoliposomes loaded with lotus seedpod oligomeric procyanidin (LSOPC) against melanogenesis and skin damaging was investigated. Fluorescence spectroscopy showed that, after encapsulation, the LSOPC-nanoliposomes st...

  • Feature Paper
  • Article
  • Open Access
14 Citations
6,285 Views
14 Pages

A Self-Assembling NHC-Pd-Loaded Calixarene as a Potent Catalyst for the Suzuki-Miyaura Cross-Coupling Reaction in Water

  • Arnaud Peramo,
  • Ibrahim Abdellah,
  • Shannon Pecnard,
  • Julie Mougin,
  • Cyril Martini,
  • Patrick Couvreur,
  • Vincent Huc and
  • Didier Desmaële

24 March 2020

Nanoformulated calix[8]arenes functionalized with N-heterocyclic carbene (NHC)-palladium complexes were found to be efficient nano-reactors for Suzuki-Miyaura cross-coupling reactions of water soluble iodo- and bromoaryl compounds with cyclic triol a...

(This article belongs to the Special Issue Carbon Ligands: From Fundamental Aspects to Applications)
  • Article
  • Open Access
40 Citations
6,658 Views
16 Pages

Brassica incana Ten. (Brassicaceae): Phenolic Constituents, Antioxidant and Cytotoxic Properties of the Leaf and Flowering Top Extracts

  • Natalizia Miceli,
  • Emilia Cavò,
  • Monica Ragusa,
  • Francesco Cacciola,
  • Luigi Mondello,
  • Laura Dugo,
  • Rosaria Acquaviva,
  • Giuseppe Antonio Malfa,
  • Andreana Marino and
  • Maria Fernanda Taviano
  • + 1 author

24 March 2020

Brassica incana Ten. is an edible plant belonging to the Brassicaceae family. In this work, the phenolic composition and the antioxidant and cytotoxic properties of the hydroalcoholic extracts obtained from the leaves and the flowering tops of B. inc...

(This article belongs to the Special Issue Bioactive Phenolic and Polyphenolic Compounds)
  • Article
  • Open Access
8 Citations
4,924 Views
14 Pages

24 March 2020

(1) Background: Neospora caninum is a major cause of abortion in cattle and represents a veterinary health problem of great economic significance. In order to identify novel chemotherapeutic agents for the treatment of neosporosis, the Medicines for...

(This article belongs to the Special Issue Purposing and Repurposing of Antimalarial Agents)
  • Article
  • Open Access
38 Citations
5,131 Views
17 Pages

Essential Oil-Based Design and Development of Novel Anti-Candida Azoles Formulation

  • Rania Hamdy,
  • Bahgat Fayed,
  • Alshaimaa M. Hamoda,
  • Mutasem Rawas-Qalaji,
  • Mohamed Haider and
  • Sameh S. M. Soliman

24 March 2020

Candida is the most common fungal class, causing both superficial and invasive diseases in humans. Although Candida albicans is the most common cause of fungal infections in humans, C. auris is a new emergent serious pathogen causing complications si...

(This article belongs to the Special Issue Recent Research Advances in Essential Oils: From Green Extraction and Synthesis to Sustainable Applications and Utilization)
  • Article
  • Open Access
17 Citations
4,475 Views
14 Pages

Impact of Pesticide Type and Emulsion Fat Content on the Bioaccessibility of Pesticides in Natural Products

  • Ruojie Zhang,
  • Zipei Zhang,
  • Ruyi Li,
  • Yunbing Tan,
  • Shanshan Lv and
  • David Julian McClements

24 March 2020

There is interest in incorporating nanoemulsions into certain foods and beverages, including dips, dressings, drinks, spreads, and sauces, due to their potentially beneficial attributes. In particular, excipient nanoemulsions can enhance the bioavail...

(This article belongs to the Special Issue Recent Advances in the Bioaccessibility and Bioavailability of Food Bioactives)
  • Article
  • Open Access
21 Citations
4,872 Views
15 Pages

Effect of Instant Controlled Pressure-Drop on the Non-Nutritional Compounds of Seeds and Sprouts of Common Black Bean (Phaseolus vulgaris L.)

  • Anaberta Cardador-Martínez,
  • Yara Martínez-Tequitlalpan,
  • Tzayhri Gallardo-Velazquez,
  • Xariss M. Sánchez-Chino,
  • Jorge Martínez-Herrera,
  • Luis Jorge Corzo-Ríos and
  • Cristian Jiménez-Martínez

24 March 2020

The common bean is an important caloric-protein food source. However, its nutritional value may be affected by the presence of non-nutritional compounds, which decrease the assimilation of some nutrients; however, at low concentrations, they show a b...

(This article belongs to the Special Issue Opportunities and Challenges in High Pressure Processing of Foods)
  • Communication
  • Open Access
11 Citations
3,673 Views
10 Pages

Microwave Assisted Synthesis of 4-Phenylquinazolin-2(1H)-one Derivatives that Inhibit Vasopressor Tonus in Rat Thoracic Aorta

  • Rafaela Teixeira,
  • Talita Menengat,
  • Gabriel Andrade,
  • Bruno Cotrim,
  • Cristiano Ponte,
  • Wilson C. Santos and
  • Gabriel Resende

24 March 2020

Quinazolinones have pharmacological effects on vascular reactivity through different mechanisms. We synthesized 4-phenylquinazolin-2(1H)-one derivatives under microwave irradiation and tested them on the rat thoracic aorta. The prepared compounds 2a&...

(This article belongs to the Section Medicinal Chemistry)
  • Article
  • Open Access
8 Citations
4,766 Views
14 Pages

Effect of GDM Pairing on PEMFC Performance in Flow-Through and Dead-Ended Anode Mode

  • Yannick Garsany,
  • Cornelius H. Bancroft,
  • Robert W. Atkinson III,
  • Keith Bethune,
  • Benjamin D. Gould and
  • Karen E. Swider-Lyons

24 March 2020

Asymmetric gas diffusion media (GDM) pairing, which feature distinct GDM at the anode and cathode of the proton electrolyte membrane fuel cell (PEMFC), enhance water management compared to symmetric pairing of GDM (anode and cathode GDM are identical...

(This article belongs to the Special Issue Proton Exchange Membrane Fuel Cells (PEMFCs))
  • Article
  • Open Access
6 Citations
6,835 Views
12 Pages

24 March 2020

Binding peptides for given target molecules are often selected in vitro during drug discovery and chemical biology research. Among several display technologies for this purpose, complementary DNA (cDNA) display (a covalent complex of a peptide and it...

(This article belongs to the Special Issue Structure, Interaction, Reaction, and Function of Biomolecules in Multimolecular Crowding Biosystems)
  • Article
  • Open Access
13 Citations
4,583 Views
18 Pages

Impact of Pd Loading on CO2 Reduction Performance over Pd/TiO2 with H2 and H2O

  • Akira Nishimura,
  • Tadaaki Inoue,
  • Yoshito Sakakibara,
  • Masafumi Hirota,
  • Akira Koshio and
  • Eric Hu

24 March 2020

This study investigated the impact of molar ratio of CO2 to reductants H2O and H2, as well as Pd loading weight on CO2 reduction performance with Pd/TiO2 as the photocatalyst. The Pd/TiO2 film photocatalyst is prepared by the sol-gel and dip-coating...

(This article belongs to the Section Photochemistry)
  • Article
  • Open Access
3 Citations
17,669 Views
11 Pages

A Powdered Simulant of Triacetone Triperoxide (TATP) for Safe Testing of X-ray Transmission Screening Equipment

  • Mitja Vahčič,
  • David Anderson,
  • John Seghers,
  • Hanne Leys,
  • Miguel Ruiz Oses,
  • Grzegorz Rarata,
  • Maximino Fernández García,
  • Rosana Prados Román and
  • Daniel Pellico Escudero

24 March 2020

Explosives detection systems (EDS) based on X-ray are used at airports to screen baggage for the presence of explosives. Once EDS are installed in airports, however, it can be challenging to test the EDS equipment and verify that it continues to perf...

(This article belongs to the Special Issue Advanced Chemistry of Energetic Materials)
  • Feature Paper
  • Review
  • Open Access
29 Citations
6,904 Views
28 Pages

24 March 2020

Wood is one of the most highly valued materials in enology since the chemical composition and sensorial properties of wine change significantly when in contact with it. The need for wood in cooperage and the concern of enologists in their search for...

(This article belongs to the Special Issue Alcoholic Beverages Aging Technologies)
  • Article
  • Open Access
17 Citations
4,172 Views
21 Pages

Investigating the Fluid–Solid Interaction of Acid Nonionic Nanoemulsion with Carbonate Porous Media

  • Cláudio Regis dos Santos Lucas,
  • Yanne Katiussy Pereira Gurgel Aum,
  • Edson de Andrade Araújo,
  • Tereza Neuma de Castro Dantas,
  • Elayne Andrade Araújo,
  • Talles Nóbrega Sousa and
  • Pedro Tupã Pandava Aum

24 March 2020

The subject of rock–fluid interaction is important in cases where flow through porous media is occurring. One special case is when the fluid reacts with the porous matrix. In this case, the mass transfer and reaction rate control the dissolutio...

(This article belongs to the Section Molecular Liquids)
  • Article
  • Open Access
54 Citations
10,522 Views
17 Pages

Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils

  • Mei Wang,
  • Ping Yu,
  • Amar G. Chittiboyina,
  • Dilu Chen,
  • Jianping Zhao,
  • Bharathi Avula,
  • Yan-Hong Wang and
  • Ikhlas A. Khan

24 March 2020

Avocado oil is prized for its high nutritional value due to the substantial amounts of triglycerides (TGs) and unsaturated fatty acids (FAs) present. While avocado oil is traditionally extracted from mature fruit flesh, alternative sources such as av...

(This article belongs to the Special Issue Special Issue in Honor of Professor James D. McChesney on the Occasion of his 80th Birthday)
  • Article
  • Open Access
26 Citations
4,841 Views
16 Pages

Interaction of Catechins with Human Erythrocytes

  • Katarzyna Naparlo,
  • Grzegorz Bartosz,
  • Ireneusz Stefaniuk,
  • Bogumil Cieniek,
  • Miroslaw Soszynski and
  • Izabela Sadowska-Bartosz

24 March 2020

The aim of this study was to characterize the interaction of chosen catechins ((+)-catechin, (−)-epigallocatechin (EGC), and (−)-epigallocatechin gallate (EGCG)) with human erythrocytes and their protective effects against oxidative damag...

(This article belongs to the Section Chemical Biology)
  • Review
  • Open Access
104 Citations
14,838 Views
24 Pages

Antagonists of Vitamin K—Popular Coumarin Drugs and New Synthetic and Natural Coumarin Derivatives

  • Kinga Kasperkiewicz,
  • Michał B. Ponczek,
  • Jacek Owczarek,
  • Piotr Guga and
  • Elżbieta Budzisz

24 March 2020

Many natural coumarins and their chemically synthesized analogs and derivatives exert diverse properties, such as anticancer, antioxidant, anti-inflammatory, or anticoagulant, with the latter being of the utmost importance. The widely used warfarin,...

  • Article
  • Open Access
83 Citations
6,992 Views
22 Pages

Environmental Risk and Risk of Resistance Selection Due to Antimicrobials’ Occurrence in Two Polish Wastewater Treatment Plants and Receiving Surface Water

  • Joanna Giebułtowicz,
  • Grzegorz Nałęcz-Jawecki,
  • Monika Harnisz,
  • Dawid Kucharski,
  • Ewa Korzeniewska and
  • Grażyna Płaza

24 March 2020

In this study, a screening of 26 selected antimicrobials using liquid chromatography coupled to a tandem mass spectrometry method in two Polish wastewater treatment plants and their receiving surface waters was provided. The highest average concentra...

(This article belongs to the Special Issue Pharmaceutical Residues in the Environment)
  • Review
  • Open Access
20 Citations
6,391 Views
27 Pages

24 March 2020

Automated sample processing techniques are desirable in radiochemical analysis for environmental radioactivity monitoring, nuclear emergency preparedness, nuclear waste characterization and management during operation and decommissioning of nuclear f...

(This article belongs to the Special Issue Modern Flow Analysis)
  • Review
  • Open Access
39 Citations
7,998 Views
25 Pages

Current Landscape and Emerging Fields of PET Imaging in Patients with Brain Tumors

  • Jan-Michael Werner,
  • Philipp Lohmann,
  • Gereon R. Fink,
  • Karl-Josef Langen and
  • Norbert Galldiks

24 March 2020

The number of positron-emission tomography (PET) tracers used to evaluate patients with brain tumors has increased substantially over the last years. For the management of patients with brain tumors, the most important indications are the delineation...

(This article belongs to the Special Issue Radiolabelled Molecules for Brain Imaging with PET and SPECT)
  • Article
  • Open Access
6 Citations
4,116 Views
12 Pages

Unusual Polyhydroxylated Steroids from the Starfish Anthenoides laevigatus, Collected off the Coastal Waters of Vietnam

  • Alla A. Kicha,
  • Dinh T. Ha,
  • Timofey V. Malyarenko,
  • Anatoly I. Kalinovsky,
  • Roman S. Popov,
  • Olesya S. Malyarenko,
  • Tran T. T. Thuy,
  • Pham Q. Long,
  • Nguyen T. T. Ha and
  • Natalia V. Ivanchina

23 March 2020

Four new polyhydroxylated steroids 1–4 were isolated along with two previously known related steroids 5 and 6 from the methanolic extract of the starfish Anthenoides laevigatus collected off the coastal waters of Vietnam. Structures of new comp...

(This article belongs to the Special Issue Dedicated to the 55th Anniversary of G.B. Elyakov Pacific Institute of Bioorganic Chemistry of the Far Eastern Branch of the Russian Academy of Sciences)
  • Review
  • Open Access
29 Citations
5,747 Views
20 Pages

Amyloids: Regulators of Metal Homeostasis in the Synapse

  • Masahiro Kawahara,
  • Midori Kato-Negishi and
  • Ken-ichiro Tanaka

23 March 2020

Conformational changes in amyloidogenic proteins, such as β-amyloid protein, prion proteins, and α-synuclein, play a critical role in the pathogenesis of numerous neurodegenerative diseases, including Alzheimer’s disease, prion disease, and Lewy body...

(This article belongs to the Special Issue Amyloids in Neurodegenerative Diseases)
  • Article
  • Open Access
34 Citations
5,465 Views
24 Pages

23 March 2020

Gentiana, which is one of the largest genera of Gentianoideae, most of which had potential pharmaceutical value, and applied to local traditional medical treatment. Because of the phytochemical diversity and difference of bioactive compounds among sp...

(This article belongs to the Special Issue Perspectives in Near Infrared Spectroscopy and Related Techniques)
  • Review
  • Open Access
12 Citations
7,128 Views
16 Pages

Kinetic Isotope Effects and Hydrogen Tunnelling in PCET Oxidations of Ascorbate: New Insights into Aqueous Chemistry?

  • Ana Karković Marković,
  • Cvijeta Jakobušić Brala,
  • Viktor Pilepić and
  • Stanko Uršić

23 March 2020

Recent experimental studies of kinetic isotope effects (KIE-s) and hydrogen tunnelling comprising three proton-coupled electron transfer (PCET) oxidations of ascorbate monoanion, (a) in aqueous reaction solutions, (b) in the mixed water-organic cosol...

(This article belongs to the Special Issue Isotope Effects 2019)
  • Article
  • Open Access
12 Citations
4,386 Views
10 Pages

Phosphonopeptides Revisited, in an Era of Increasing Antimicrobial Resistance

  • Emma C.L. Marrs,
  • Linda Varadi,
  • Alexandre F. Bedernjak,
  • Kathryn M. Day,
  • Mark Gray,
  • Amanda L. Jones,
  • Stephen P. Cummings,
  • Rosaleen J. Anderson and
  • John D. Perry

23 March 2020

Given the increase in resistance to antibacterial agents, there is an urgent need for the development of new agents with novel modes of action. As an interim solution, it is also prudent to reinvestigate old or abandoned antibacterial compounds to as...

(This article belongs to the Special Issue New Methods for the Detection/Identification of Bacteria–the Chemistry Perspective)
  • Feature Paper
  • Communication
  • Open Access
6 Citations
5,108 Views
9 Pages

Synthesis and Characterization of a Binuclear Copper(II)-dipyriamethyrin Complex: [Cu2(dipyriamethyrin)(μ2-1,1-acetato)2]

  • James T. Brewster,
  • Harrison D. Root,
  • Hadiqa Zafar,
  • Gregory D. Thiabaud,
  • Adam C. Sedgwick,
  • Jiaming He,
  • Vincent M. Lynch and
  • Jonathan L. Sessler

23 March 2020

The reaction between dipyriamethyrin and copper(II) acetate [Cu(OAc)2] afforded what is, to our knowledge, the first transition metal-dipyriamethyrin complex. Molecular and electronic characterization of this binuclear Cu(II) complex via EPR, UV-vis,...

(This article belongs to the Special Issue Porphyrinoid Derivatives: Synthesis and Biological Applications)
  • Article
  • Open Access
8 Citations
5,404 Views
27 Pages

Design, Synthesis and Biological Evaluation of Phenyl Urea Derivatives as IDO1 Inhibitors

  • Chuan Zhou,
  • Fangfang Lai,
  • Li Sheng,
  • Xiaoguang Chen,
  • Yan Li and
  • Zhiqiang Feng

23 March 2020

Indoleamine 2,3-dioxygenase 1 (IDO1) is a heme-containing intracellular enzyme that catalyzes the first and rate-determining step of tryptophan metabolism and is an important immunotherapeutic target for the treatment of cancer. In this study, we des...

(This article belongs to the Special Issue Design, Synthesis, and Biological Evaluation of Enzyme Inhibitors)
  • Article
  • Open Access
17 Citations
4,175 Views
14 Pages

Removal of V(V) From Solution Using a Silica-Supported Primary Amine Resin: Batch Studies, Experimental Analysis, and Mathematical Modeling

  • Xi Huang,
  • Zhenxiong Ye,
  • Lifeng Chen,
  • Xujie Chen,
  • Caocong Liu,
  • Yuan Yin,
  • Xinpeng Wang and
  • Yuezhou Wei

23 March 2020

Every year, a large quantity of vanadium-containing wastewater is discharged from industrial factories, resulting in severe environmental problems. In particular, V(V) is recognized as a potentially hazardous contaminant due to its high mobility and...

  • Article
  • Open Access
15 Citations
4,653 Views
15 Pages

23 March 2020

Temozolomide (TMZ)-induced chemoresistance to human glioblastomas is a critical challenge now. Our previous studies showed that honokiol, a major bioactive constituent of Magnolia officinalis (Houpo), can kill human glioblastoma cells and suppresses...

(This article belongs to the Section Natural Products Chemistry)
  • Article
  • Open Access
3 Citations
3,842 Views
18 Pages

23 March 2020

A great variety of computational approaches support drug design processes, helping in selection of new potentially active compounds, and optimization of their physicochemical and ADMET properties. Machine learning is a group of methods that are able...

(This article belongs to the Special Issue AI in Drug Design)
  • Review
  • Open Access
49 Citations
8,236 Views
22 Pages

NMR-Based Plant Metabolomics in Nutraceutical Research: An Overview

  • Giovanna Valentino,
  • Vittoria Graziani,
  • Brigida D’Abrosca,
  • Severina Pacifico,
  • Antonio Fiorentino and
  • Monica Scognamiglio

23 March 2020

Few topics are able to channel the interest of researchers, the public, and industries, like nutraceuticals. The ever-increasing demand of new compounds or new sources of known active compounds, along with the need of a better knowledge about their e...

(This article belongs to the Section Analytical Chemistry)
  • Article
  • Open Access
48 Citations
8,793 Views
15 Pages

Ellagic Acid Containing Nanostructured Lipid Carriers for Topical Application: A Preliminary Study

  • Supandeep Singh Hallan,
  • Maddalena Sguizzato,
  • Gabriella Pavoni,
  • Anna Baldisserotto,
  • Markus Drechsler,
  • Paolo Mariani,
  • Elisabetta Esposito and
  • Rita Cortesi

23 March 2020

Ellagic acid (EA) is a potent antioxidant substance of natural origin characterized by poor biopharmaceutical properties and low solubility in water that limit its use. The aim of the present study was to develop lipid-based nanoparticle formulations...

(This article belongs to the Special Issue Preparation, Characterization, and Effect of Lipid Nanoparticles Used in Different Application Fields)
  • Article
  • Open Access
21 Citations
6,703 Views
22 Pages

New Cysteine Protease Inhibitors: Electrophilic (Het)arenes and Unexpected Prodrug Identification for the Trypanosoma Protease Rhodesain

  • Philipp Klein,
  • Patrick Johe,
  • Annika Wagner,
  • Sascha Jung,
  • Jonas Kühlborn,
  • Fabian Barthels,
  • Stefan Tenzer,
  • Ute Distler,
  • Waldemar Waigel and
  • Tanja Schirmeister
  • + 3 authors

23 March 2020

Electrophilic (het)arenes can undergo reactions with nucleophiles yielding π- or Meisenheimer (σ-) complexes or the products of the SNAr addition/elimination reactions. Such building blocks have only rarely been employed for the design of en...

(This article belongs to the Section Medicinal Chemistry)
  • Article
  • Open Access
21 Citations
4,015 Views
8 Pages

Glycosylation of Stilbene Compounds by Cultured Plant Cells

  • Kei Shimoda,
  • Naoji Kubota,
  • Daisuke Uesugi,
  • Yusuke Kobayashi,
  • Hatsuyuki Hamada and
  • Hiroki Hamada

22 March 2020

Oxyresveratrol and gnetol are naturally occurring stilbene compounds, which have diverse pharmacological activities. The water-insolubility of these compounds limits their further pharmacological exploitation. The glycosylation of bioactive compounds...

  • Article
  • Open Access
23 Citations
6,069 Views
17 Pages

New Peptide-Based Pharmacophore Activates 20S Proteasome

  • Paweł A. Osmulski,
  • Przemysław Karpowicz,
  • Elżbieta Jankowska,
  • Jonathan Bohmann,
  • Andrew M. Pickering and
  • Maria Gaczyńska

22 March 2020

The proteasome is a pivotal element of controlled proteolysis, responsible for the catabolic arm of proteostasis. By inducing apoptosis, small molecule inhibitors of proteasome peptidolytic activities are successfully utilized in treatment of blood c...

  • Article
  • Open Access
14 Citations
4,045 Views
10 Pages

22 March 2020

We developed, optimized and validated a fast analytical cycle using high throughput bar adsorptive microextraction and microliquid desorption (HT-BAμE-μLD) for the extraction and desorption of ketamine and norketamine in up to 100 urine samples...

(This article belongs to the Special Issue Recent Trends in Pharmaceutical Analytical Chemistry)
  • Article
  • Open Access
9 Citations
4,262 Views
14 Pages

An Automated SeaFAST ICP-DRC-MS Method for the Determination of 90Sr in Spent Nuclear Fuel Leachates

  • Víctor Vicente Vilas,
  • Sylvain Millet,
  • Miguel Sandow,
  • Luis Iglesias Pérez,
  • Daniel Serrano-Purroy,
  • Stefaan Van Winckel and
  • Laura Aldave de las Heras

21 March 2020

To reduce uncertainties in determining the source term and evolving condition of spent nuclear fuel is fundamental to the safety assessment. ß-emitting nuclides pose a challenging task for reliable, quantitative determination because both radio...

(This article belongs to the Special Issue Modern Flow Analysis)
  • Communication
  • Open Access
12 Citations
4,089 Views
15 Pages

21 March 2020

Fostemsavir/temsavir is an investigational HIV-1 entry inhibitor currently in late-stage clinical trials. Although it holds promise to be a first-in-class Env-targeted entry inhibitor for the clinic, issues with bioavailability relegate its use to sa...

(This article belongs to the Special Issue Antiviral Agents)
  • Article
  • Open Access
67 Citations
5,857 Views
17 Pages

Biological Evaluation and Molecular Docking with In Silico Physicochemical, Pharmacokinetic and Toxicity Prediction of Pyrazolo[1,5-a]pyrimidines

  • Ahmed M. Naglah,
  • Ahmed A. Askar,
  • Ashraf S. Hassan,
  • Tamer K. Khatab,
  • Mohamed A. Al-Omar and
  • Mashooq A. Bhat

21 March 2020

Pyrazolo[1,5-a]pyrimidines 5a–c, 9a–c and 13a–i were synthesized for evaluation of their in vitro antimicrobial properties against some microorganisms and their immunomodulatory activity. The biological activities of pyrazolo[1,5-a]...

(This article belongs to the Special Issue Nitrogen Heterocycles in Medicinal Chemistry)
  • Article
  • Open Access
43 Citations
10,105 Views
14 Pages

21 March 2020

For many years, an increasing number of diagnosed atopy and skin problems have been observed. For people affected by the problem of atopy, the selection of skin care products, including cosmetics, is extremely important. Cleansing cosmetics, due to t...

(This article belongs to the Special Issue Natural Products and Skin Diseases)
  • Article
  • Open Access
13 Citations
6,060 Views
14 Pages

21 March 2020

I have explored the structural features and the dynamics of triethylammonium acetate by means of semi-empirical (density functional tight binding, DFTB) molecular dynamics. I find that the results from the present simulations agree with recent experi...

(This article belongs to the Special Issue Theoretical Computational Description of Ionic Liquids)
  • Article
  • Open Access
13 Citations
5,234 Views
20 Pages

21 March 2020

The properties of trehalose + water mixtures are studied as a function of mixture composition and temperature using molecular dynamics simulations. As trehalose disaccharide has been proposed for dry preservation purposes, the objective of this work...

(This article belongs to the Section Molecular Liquids)
  • Feature Paper
  • Article
  • Open Access
14 Citations
10,797 Views
20 Pages

Exploring the Polymorphism of Drostanolone Propionate

  • Gheorghe Borodi,
  • Alexandru Turza and
  • Attila Bende

21 March 2020

2α-Methyl-4,5α-dihydrotestosterone 17β-propionate, known as drostanolone propionate or masteron, is a synthetic anabolic-androgenic steroid derived from dihydrotestosterone. The crystal structures of two polymorphs of drostanolone pr...

(This article belongs to the Special Issue Non-Covalent Interaction in Solids and Large Clusters)
  • Review
  • Open Access
63 Citations
16,441 Views
52 Pages

21 March 2020

Flow chemistry is an area of contemporary chemistry exploiting the hydrodynamic conditions of flowing liquids to provide particular environments for chemical reactions. These particular conditions of enhanced and strictly regulated transport of reage...

(This article belongs to the Special Issue Modern Flow Analysis)
  • Article
  • Open Access
14 Citations
4,713 Views
11 Pages

A2E Distribution in RPE Granules in Human Eyes

  • Ziqiang Guan,
  • Yiwen Li,
  • Shuliang Jiao,
  • Nusrat Yeasmin,
  • Philip J. Rosenfeld,
  • Sander R. Dubovy,
  • Byron L. Lam and
  • Rong Wen

20 March 2020

A2E (N-retinylidene-N-retinylethanolamine) is a major fluorophore in the RPE (retinal pigment epithelium). To identify and characterize A2E-rich RPE lipofuscin, we fractionated RPE granules from human donor eyes into five fractions (F1–F5 in as...

(This article belongs to the Collection Qualitative and Quantitative Analysis of Bioactive Natural Products)
  • Article
  • Open Access
9 Citations
4,577 Views
13 Pages

Unknown Areas of Activity of Human Ribonuclease Dicer: A Putative Deoxyribonuclease Activity

  • Marta Wojnicka,
  • Agnieszka Szczepanska and
  • Anna Kurzynska-Kokorniak

20 March 2020

The Dicer ribonuclease plays a crucial role in the biogenesis of small regulatory RNAs (srRNAs) by processing long double-stranded RNAs and single-stranded hairpin RNA precursors into small interfering RNAs (siRNAs) and microRNAs (miRNAs), respective...

  • Article
  • Open Access
6 Citations
3,654 Views
13 Pages

20 March 2020

Antibiotics and hormones widely exist in fertilizers and manures, which are excessively used in agriculture and animal husbandry. Considering their potential harm to the environment and human health, the detection of antibiotics and hormones has beco...

(This article belongs to the Section Analytical Chemistry)

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Molecules - ISSN 1420-3049