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Source: Molecules
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Total 992 results found since Jan 2013.
Molecules, Vol. 28, Pages 4918: Phase-Controlled Cobalt Catalyst Boosting Hydrogenation of 5-Hydroxymethylfurfural to 2,5-Dimethylfuran
In this study, an efficient non-noble metal catalyst for hydrogenation, hexagonal close-packed cobalt (HCP-Co), was synthesized through a simple one-step reduction of β-Co(OH)2 nanosheets via a temperature-induced phase transition. The obtained HCP-Co exhibited several-times-higher catalytic efficiency than its face-centered cubic cobalt (FCC-Co) counterpart in the hydrogenation of the C=C/C=O group, especially for the 5-hydroxymethylfurfural (HMF) hydrogenation (8.5-fold enhancement). Density functional theory calculations demonstrated that HMF molecules were adsorbed more firmly on the (112_0) facet of HCP-C...
Source: Molecules - June 22, 2023 Category: Chemistry Authors: Kaixuan Yang Naimeng Chen Xiaomiao Guo Ruoqi Zhang Xiaoyu Sheng Hui Ge Zhiguo Zhu Hengquan Yang Hongying L ü Tags: Article Source Type: research
Molecules, Vol. 28, Pages 4854: Biological Activities of Natural Products III
opa
The search for natural products that display biological activity is invariably an attractive research area for scientific centers and teams from around the world [...]
Source: Molecules - June 19, 2023 Category: Chemistry Authors: Halina Maria Ekiert Agnieszka Szopa Tags: Editorial Source Type: research
Molecules, Vol. 28, Pages 4814: Structure-Based Design of Novel MAO-B Inhibitors: A Review
Debmalya Barh
With the significant growth of patients suffering from neurodegenerative diseases (NDs), novel classes of compounds targeting monoamine oxidase type B (MAO-B) are promptly emerging as distinguished structures for the treatment of the latter. As a promising function of computer-aided drug design (CADD), structure-based virtual screening (SBVS) is being heavily applied in processes of drug discovery and development. The utilization of molecular docking, as a helping tool for SBVS, is providing essential data about the poses and the occurring interactions between ligands and target molecules. The current w...
Source: Molecules - June 16, 2023 Category: Chemistry Authors: Emilio Mateev Maya Georgieva Alexandrina Mateeva Alexander Zlatkov Shaban Ahmad Khalid Raza Vasco Azevedo Debmalya Barh Tags: Review Source Type: research
Molecules, Vol. 28, Pages 4795: Discovery of a Potent Highly Biased MOR Partial Agonist among Diastereomeric C9-Hydroxyalkyl-5-phenylmorphans
Jacobson
Kenner C. Rice
All possible diastereomeric C9-hydroxymethyl-, hydroxyethyl-, and hydroxypropyl-substituted 5-phenylmorphans were synthesized to explore the three-dimensional space around the C9 substituent in our search for potent MOR partial agonists. These compounds were designed to lessen the lipophilicity observed with their C9-alkenyl substituted relatives. Many of the 12 diastereomers that were obtained were found to have nanomolar or subnanomolar potency in the forskolin-induced cAMP accumulation assay. Almost all these potent compounds were fully efficacious, and three of those chosen for in vivo eva...
Source: Molecules - June 15, 2023 Category: Chemistry Authors: Joshua A. Lutz Agnieszka Sulima Eugene S. Gutman Eric W. Bow Dan Luo Sophia Kaska Thomas E. Prisinzano Carol A. Paronis Jack Bergman Gregory H. Imler Andrew T. Kerr Arthur E. Jacobson Kenner C. Rice Tags: Article Source Type: research
Molecules, Vol. 28, Pages 4744: Anti-Inflammatory and Cytotoxic Activities of Clerodane-Type Diterpenes
-Ramos
The secondary metabolites of clerodane diterpenoids have been found in several plant species from various families and in other organisms. In this review, we included articles on clerodanes and neo-clerodanes with cytotoxic or anti-inflammatory activity from 2015 to February 2023. A search was conducted in the following databases: PubMed, Google Scholar and Science Direct, using the keywords clerodanes or neo-clerodanes with cytotoxicity or anti-inflammatory activity. In this work, we present studies on these diterpenes with anti-inflammatory effects from 18 species belonging to 7 families and those with cytotox...
Source: Molecules - June 13, 2023 Category: Chemistry Authors: Rubria Marlen Mart ínez-Casares Liliana Hern ández-Vázquez Angelica Mandujano Leonor S ánchez-Pérez Salud P érez-Gutiérrez Julia P érez-Ramos Tags: Review Source Type: research
Molecules, Vol. 28, Pages 4611: Screening of Volatile Compounds, Traditional and Modern Phytotherapy Approaches of Selected Non-Aromatic Medicinal Plants (Lamiaceae, Lamioideae) from Rtanj Mountain, Eastern Serbia
In conclusion, we can say that selected plants could be used as natural agents for promoting health, as a source of raw material in the food industry, and as supplements, as well as in the pharmaceutical industry for developing plant-based remedies for prevention and treatment of many diseases, especially cancer.
Source: Molecules - June 7, 2023 Category: Chemistry Authors: Milica A ćimović Jovana Stankovi ć Jeremić Ana Miljkovi ć Milica Rat Biljana Lon čar Tags: Article Source Type: research
Molecules, Vol. 28, Pages 4516: Targeting Myeloperoxidase Activity and Neutrophil ROS Production to Modulate Redox Process: Effect of Ellagic Acid and Analogues
thys-Mickalad
Malaria is an infectious disease caused by a Plasmodium genus parasite that remains the most widespread parasitosis. The spread of Plasmodium clones that are increasingly resistant to antimalarial molecules is a serious public health problem for underdeveloped countries. Therefore, the search for new therapeutic approaches is necessary. For example, one strategy could consist of studying the redox process involved in the development of the parasite. Regarding potential drug candidates, ellagic acid is widely studied due to its antioxidant and parasite-inhibiting properties. However, its low oral bioavaila...
Source: Molecules - June 2, 2023 Category: Chemistry Authors: Gilles Degotte Michel Frederich Pierre Francotte Thierry Franck Thomas Colson Didier Serteyn Ange Mouithys-Mickalad Tags: Article Source Type: research
Molecules, Vol. 28, Pages 4497: Carbon Adsorbents Obtained from Pistachio Nut Shells Used as Potential Ingredients of Drinking Water Filters
icki
Water resources are increasingly degraded due to the discharge of waste generated in municipal, industrial and agricultural areas. Therefore, the search for new materials enabling the effective treatment of drinking water and sewage is currently of great interest. This paper deals with the adsorption of organic and inorganic pollutants on the surface of carbonaceous adsorbents prepared by thermochemical conversion of common pistachio nut shells. The influence of the direct physical activation with CO2 and chemical activation with H3PO4 on parameters, such as elemental composition, textural parameters, acidic&a...
Source: Molecules - June 1, 2023 Category: Chemistry Authors: Agata Wawrzyniak Ma łgorzata Wiśniewska Piotr Nowicki Tags: Article Source Type: research
Molecules, Vol. 28, Pages 4460: Group I Intron as a Potential Target for Antifungal Compounds: Development of a Trans-Splicing High-Throughput Screening Strategy
Paget
The search for safe and efficient new antifungal compounds for agriculture has led to more efforts in finding new modes of action. This involves the discovery of new molecular targets, including coding and non-coding RNA. Rarely found in plants and animals but present in fungi, group I introns are of interest as their complex tertiary structure may allow selective targeting using small molecules. In this work, we demonstrate that group I introns present in phytopathogenic fungi have a self-splicing activity in vitro that can be adapted in a high-throughput screening to find new antifungal compounds. Ten candidat...
Source: Molecules - May 31, 2023 Category: Chemistry Authors: Bastien Malbert Virginie Labaurie C écile Dorme Eric Paget Tags: Article Source Type: research
Molecules, Vol. 28, Pages 4477: Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson & rsquo;s Catalyst Case
Molecules, Vol. 28, Pages 4477: Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson’s Catalyst Case
Molecules doi: 10.3390/molecules28114477
Authors:
Ruben Staub
Philippe Gantzer
Yu Harabuchi
Satoshi Maeda
Alexandre Varnek
Ab initio kinetic studies are important to understand and design novel chemical reactions. While the Artificial Force Induced Reaction (AFIR) method provides a convenient and efficient framework for kinetic studies, accurate explorations of reaction path networks incur high computational costs. In this article, we are investigating the applicability of...
Source: Molecules - May 31, 2023 Category: Chemistry Authors: Ruben Staub Philippe Gantzer Yu Harabuchi Satoshi Maeda Alexandre Varnek Tags: Article Source Type: research
Molecules, Vol. 28, Pages 4421: New Trends in Supercritical Fluid Technology and Pressurized Liquids for the Extraction and Recovery of Bioactive Compounds from Agro-Industrial and Marine Food Waste
Gallón-Bedoya
Growing consumer interest in healthy foods has led to an increased demand for bioactive compounds derived from eco-technologies. This review highlighted two emerging technologies, pressurized liquid extraction (PLE) and supercritical fluid extraction (SFE), which are based on clean processes aimed at recovering bioactive compounds from different food sources. We studied how the different processing conditions provide many advantages and a great opportunity to obtain compounds with antioxidant, antibacterial, antiviral, or antifungal activity from plant matrices and industrial biowaste, especially antioxi...
Source: Molecules - May 29, 2023 Category: Chemistry Authors: Horacio Fraguela-Meissimilly Jos é Miguel Bastías-Monte Claudia Vergara Jaime Ortiz-Viedma Roberto Lemus-Mondaca Marcos Flores Pamela Toledo-Merma Sylvia Alc ázar-Alay Manuela Gall ón-Bedoya Tags: Review Source Type: research
Molecules, Vol. 28, Pages 4381: Natural Bacterial and Fungal Peptides as a Promising Treatment to Defeat Lung Cancer Cells
This article is a literature review of research on compounds of natural origin that can potentially be used as part of NSCLC therapies.
Source: Molecules - May 27, 2023 Category: Chemistry Authors: Kamila Rybczy ńska-Tkaczyk Anna Grenda Anna Jakubczyk Pawe ł Krawczyk Tags: Review Source Type: research
Molecules, Vol. 28, Pages 4320: The Effects of 1-O-Acetylbritannilactone Isolated from Inula britannica Flowers on Human Neutrophil Elastase and Inflammation of RAW 264.7 Cells and Zebrafish Larvae
Sook Kim
During a search for natural inflammatory inhibitors, 1-O-acetylbritannilactone (ABL), a sesquiterpene lactone, was isolated from the flowers of Inula britannica. ABL significantly inhibited human neutrophil elastase (HNE) with a half-maximal inhibitory concentration (IC50) of 3.2 ± 0.3 µM, thus did so more effectively than the positive control material (epigallocatechin gallate) (IC50 7.2 ± 0.5 µM). An enzyme kinetic study was performed. ABL noncompetitively inhibited HNE with an inhibition constant Ki of 2.4 µM. ABL inhibited lipopolysac...
Source: Molecules - May 24, 2023 Category: Chemistry Authors: Ik Soo Lee Yu-Ri Lee Jea Heon Sim Ki Mo Kim Young Sook Kim Tags: Communication Source Type: research
Molecules, Vol. 28, Pages 4285: Seaweeds and Corals from the Brazilian Coast: Review on Biotechnological Potential and Environmental Aspects
an Silva Pereira
Aníbal de Freitas Santos Júnior
Brazil has a megadiversity that includes marine species that are distributed along 800 km of shoreline. This biodiversity status holds promising biotechnological potential. Marine organisms are important sources of novel chemical species, with applications in the pharmaceutical, cosmetic, chemical, and nutraceutical fields. However, ecological pressures derived from anthropogenic actions, including the bioaccumulation of potentially toxic elements and microplastics, impact promising species. This review describes the current status of the biotechnological and environ...
Source: Molecules - May 23, 2023 Category: Chemistry Authors: Gustavo Souza dos Santos Thais Luz de Souza Thaiz Rodrigues Teixeira Jo ão Pedro Cezário Brandão Keila Almeida Santana Luan Henrique Santos Barreto Samantha de Souza Cunha Daniele Cristina Muniz Batista dos Santos Conor R. Caffrey Natan Silva Pereira A Tags: Review Source Type: research
Molecules, Vol. 28, Pages 4242: Cocrystallization of Progesterone with Nitrogen Heterocyclic Compounds: Synthesis, Characterization, Calculation and Property Evaluation
ng Ning
Progesterone injection is oily because of its poor solubility. It is necessary to develop new dosage forms or delivery methods for Progesterone. Six cocrystals of Progesterone with nitrogen heterocyclic compounds (2,6-diaminopyridine, isonicotinamide, 4-aminopyridine, aminopyrazine, picolinamide and pyrazinamide) have been designed and prepared by ethyl acetate-assisted grinding, of which four cocrystals (2,6-diaminopyridine, isonicotinamide, 4-aminopyridine and aminopyrazine) had single crystal data in 1:1 stoichiometry. Metadynamics-genetic crossing was used to search and optimize various cluster structures t...
Source: Molecules - May 22, 2023 Category: Chemistry Authors: Juan Xu Wei Gao Qi Zhang Lifeng Ning Tags: Article Source Type: research
