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Total 981 results found since Jan 2013.

Molecules, Vol. 28, Pages 3661: The Antimicrobial Peptide & gamma;-Thionin from Habanero Chile (Capsicum chinense) Induces Caspase-Independent Apoptosis on Human K562 Chronic Myeloid Leukemia Cells and Regulates Epigenetic Marks
This study shows that defensin γ-thionin (Capsicum chinense) is cytotoxic to the K562 leukemia cells with an IC50 = 290 μg/mL (50.26 μM) but not for human peripheral blood mononuclear cells. Results showed that γ-thionin did not affect the membrane potential; however, the peptide modified the mitochondrial membrane potential (ΔΨm) and the intracellular calcium release. In addition, γ-thionin induced apoptosis in K562 cells, but the activation of caspases 8 and 9 was not detected. Moreover, the activation of calpains was detected at on...
Source: Molecules - April 23, 2023 Category: Chemistry Authors: Luis Jos é Flores-Alvarez Paola Jim énez-Alcántar Alejandra Ochoa-Zarzosa Joel E. L ópez-Meza Tags: Article Source Type: research

Molecules, Vol. 28, Pages 3671: Anticancer Potentials of the Lignan Magnolin: A Systematic Review
In conclusion, magnolin showed robust anticancer activity against many cancer cell lines by altering several cancer signaling pathways in various non- and pre-clinical experimental models, making it a promising plant-derived chemotherapeutic option for further clinical research.
Source: Molecules - April 23, 2023 Category: Chemistry Authors: Md. Shimul Bhuia Polrat Wilairatana Raihan Chowdhury Asraful Islam Rakib Hossam Kamli Ahmad Shaikh Henrique D. M. Coutinho Muhammad Torequl Islam Tags: Review Source Type: research

Molecules, Vol. 28, Pages 3639: Biological Potential of Carnivorous Plants from Nepenthales
achno Since Charles Darwin and his book carnivorous plants have aroused interest and heated debate. In addition, there is growing interest in this group of plants as a source of secondary metabolites and in the application of their biological activity. The aim of this study was to trace the recent literature in search of the application of extracts obtained from families Droseraceae, Nepenthaceae, and Drosophyllaceae to show their biological potential. The data collected in the review clearly indicate that the studied Nepenthales species have great biological potential in terms of antibacterial, antifungal, antioxidant...
Source: Molecules - April 21, 2023 Category: Chemistry Authors: Magdalena W ójciak Marcin Feldo Piotr Stolarczyk Bartosz J. P łachno Tags: Review Source Type: research

Molecules, Vol. 28, Pages 3609: Myo-Inositol, Scyllo-Inositol, and Other Minor Carbohydrates as Authenticity Markers for the Control of Italian Bulk, Concentrate, and Rectified Grape Must
berto Larcher Myo-inositol polyalcohol is a characteristic component of natural and concentrated grape musts (CMs), and Regulation (EU) no. 1308/2013 prescribes its presence as a marker of the authenticity of rectified concentrated must (RCM). Other polyalcohols besides myo-inositol, such as scyllo-inositol or minor sugars, could be considered authenticity markers, but an extensive search in the literature yielded no exhaustively investigated study of their concentration variability in genuine products. The aim of this study was to create an extensive national data bank of minor carbohydrates profiles and investigate t...
Source: Molecules - April 20, 2023 Category: Chemistry Authors: Mauro Paolini Matteo Perini Letizia Allari Loris Tonidandel Fabio Finato Katia Guardini Roberto Larcher Tags: Article Source Type: research

Molecules, Vol. 28, Pages 3518: Notoamide R: A Prominent Diketopiperazine Fermentation Metabolite amongst Others of Aspergillus ochraceus in the Absence of Ochratoxins
umont Ochratoxin A is historically the most notable secondary metabolite of Aspergillus ochraceus on account of its toxicity to animals and fish. Currently, over 150 compounds of diverse structure and biosynthesis is a challenge to predict the array for any particular isolate. A brief focus 30 years ago on the failure to produce ochratoxins in foods in Europe and the USA revealed consistent failures to produce ochratoxin A by isolates from some USA beans. Analysis for familiar or novel metabolites particularly focused on a compound for which mass and NMR analyses were inconclusive. Resort to 14C-labelled biosynthetic p...
Source: Molecules - April 17, 2023 Category: Chemistry Authors: Peter Mantle Andrew Roberts Claire Beaumont Tags: Communication Source Type: research

Molecules, Vol. 28, Pages 3460: Risk Assessment of Trigonelline in Coffee and Coffee By-Products
enmeier Trigonelline is a bioactive pyridine alkaloid that occurs naturally in high concentrations in coffee (up to 7.2 g/kg) and coffee by-products (up to 62.6 g/kg) such as coffee leaves, flowers, cherry husks or pulp, parchment, silver skin, and spent grounds. In the past, coffee by-products were mostly considered waste and discarded. In recent years, however, the use of coffee by-products as food has attracted interest because of their economic and nutritional value and the environmental benefits of sustainable resource use. Their authorization as so-called novel foods in the European Union may lead to increased or...
Source: Molecules - April 14, 2023 Category: Chemistry Authors: Nick Konstantinidis Heike Franke Steffen Schwarz Dirk W. Lachenmeier Tags: Review Source Type: research

Molecules, Vol. 28, Pages 3424: Fusarium-Derived Secondary Metabolites with Antimicrobial Effects
uawei Zhang Fungal microbes are important in the creation of new drugs, given their unique genetic and metabolic diversity. As one of the most commonly found fungi in nature, Fusarium spp. has been well regarded as a prolific source of secondary metabolites (SMs) with diverse chemical structures and a broad spectrum of biological properties. However, little information is available concerning their derived SMs with antimicrobial effects. By extensive literature search and data analysis, as many as 185 antimicrobial natural products as SMs had been discovered from Fusarium strains by the end of 2022. This review first p...
Source: Molecules - April 13, 2023 Category: Chemistry Authors: Meijie Xu Ziwei Huang Wangjie Zhu Yuanyuan Liu Xuelian Bai Huawei Zhang Tags: Review Source Type: research

Molecules, Vol. 28, Pages 3420: Virtual Screening Strategy to Identify Retinoic Acid-Related Orphan Receptor & gamma;t Modulators
Molecules, Vol. 28, Pages 3420: Virtual Screening Strategy to Identify Retinoic Acid-Related Orphan Receptor γt Modulators Molecules doi: 10.3390/molecules28083420 Authors: Elmeri M. Jokinen Miika Niemeläinen Sami T. Kurkinen Jukka V. Lehtonen Sakari Lätti Pekka A. Postila Olli T. Pentikäinen Sanna P. Niinivehmas Molecular docking is a key method used in virtual screening (VS) campaigns to identify small-molecule ligands for drug discovery targets. While docking provides a tangible way to understand and predict the protein-ligand complex formation, the docking algorithms are often unable ...
Source: Molecules - April 13, 2023 Category: Chemistry Authors: Elmeri M. Jokinen Miika Niemel äinen Sami T. Kurkinen Jukka V. Lehtonen Sakari L ätti Pekka A. Postila Olli T. Pentik äinen Sanna P. Niinivehmas Tags: Article Source Type: research

Molecules, Vol. 28, Pages 3409: Intelligent Workflow and Software for Non-Target Analysis of Complex Samples Using a Mixture of Toxic Transformation Products of Unsymmetrical Dimethylhydrazine as an Example
K. Buryak Unsymmetrical dimethylhydrazine (UDMH) is a widely used rocket propellant. Entering the environment or being stored in uncontrolled conditions, UDMH easily forms an enormous variety (at least many dozens) of transformation products. Environmental pollution by UDMH and its transformation products is a major problem in many countries and across the Arctic region. Unfortunately, previous works often use only electron ionization mass spectrometry with a library search, or they consider only the molecular formula to propose the structures of new products. This is quite an unreliable approach. It was demonstrated t...
Source: Molecules - April 12, 2023 Category: Chemistry Authors: Anastasia Yu. Sholokhova Dmitriy D. Matyushin Oksana I. Grinevich Svetlana A. Borovikova Aleksey K. Buryak Tags: Article Source Type: research

Molecules, Vol. 28, Pages 3392: A Highly Efficient Workflow for Detecting and Identifying Sequence Variants in Therapeutic Proteins with a High Resolution LC-MS/MS Method
Feng Yang Large molecule protein therapeutics have steadily grown and now represent a significant portion of the overall pharmaceutical market. These complex therapies are commonly manufactured using cell culture technology. Sequence variants (SVs) are undesired minor variants that may arise from the cell culture biomanufacturing process that can potentially affect the safety and efficacy of a protein therapeutic. SVs have unintended amino acid substitutions and can come from genetic mutations or translation errors. These SVs can either be detected using genetic screening methods or by mass spectrometry (MS). Recent ad...
Source: Molecules - April 12, 2023 Category: Chemistry Authors: Lance Cadang Chi Yan Janet Tam Benjamin Nathan Moore Juergen Fichtl Feng Yang Tags: Article Source Type: research

Molecules, Vol. 28, Pages 3360: Fast Detection of Heavy Metal Content in Fritillaria thunbergii by Laser-Induced Breakdown Spectroscopy with PSO-BP and SSA-BP Analysis
In this study, laser-induced breakdown spectroscopy (LIBS) was applied to detect the heavy metal content (Cd, Cu, and Pb) in Fritillaria thunbergii. Quantitative prediction models were established using a back-propagation neural network (BPNN) optimized using the particle swarm optimization (PSO) algorithm and sparrow search algorithm (SSA), called PSO-BP and SSA-BP, respectively. The results revealed that the BPNN models optimized by PSO and SSA had better accuracy than the BPNN model without optimization. The performance evaluation metrics of the PSO-BP and SSA-BP models were similar. However, the SSA-BP model had two ad...
Source: Molecules - April 11, 2023 Category: Chemistry Authors: Xinmeng Luo Rongqin Chen Muhammad Hilal Kabir Fei Liu Zhengyu Tao Lijuan Liu Wenwen Kong Tags: Article Source Type: research

Molecules, Vol. 28, Pages 3278: A Comprehensive Review on Pharmacologically Active Phyto-Constituents from Hedychium species
In this study, we present a reinvestigation of the chemical constituents present in Hedychium species obtained from the essential oil and solvent extraction of the flowers, leaves and rhizomes under consideration. Key databases such as PubMed, Science Direct, Scopus, and Google Scholar amongst others were probed for a systematic search using keywords to retrieve relevant publications on this plant. An exhaustive electronic survey of the related literature on Hedychium species resulted in around 200 articles. Articles published between the years 1975–2021 were included. The studies conducted on either crude ex...
Source: Molecules - April 6, 2023 Category: Chemistry Authors: Alok Pratap Singh Havagiray Chitme Rajeev Kumar Sharma JB Kandpal Ashok Behera Basel A. Abdel Wahab Mohammed Abdelmalek Orabi Masood Medleri Khateeb Shafiuddin Habeeb Mohammed Marwa Bakir Tags: Review Source Type: research

Molecules, Vol. 28, Pages 3266: Properties of Naked Silver Clusters with Up to 100 Atoms as Found with Embedded-Atom and Density-Functional Calculations
Springborg The structural and energetic properties of small silver clusters Agn with n = 2–100 atoms are reported. For n = 2–100 the embedded atom model for the calculation of the total energy of a given structure in combination with the basin-hopping search strategy for an unbiased structure optimization has been used to identify the energies and structures of the three energetically lowest-lying isomers. These optimized structures for n = 2–11 were subsequently studied further through density-functional-theory calculations. These calculations provide additional information o...
Source: Molecules - April 6, 2023 Category: Chemistry Authors: Shivangi Garg Navjot Kaur Neetu Goel Mohammad Molayem Valeri G. Grigoryan Michael Springborg Tags: Article Source Type: research

Molecules, Vol. 28, Pages 3215: The Use of Infrared Spectroscopy for the Quantification of Bioactive Compounds in Food: A Review
f Ameer Infrared spectroscopy (wavelengths ranging from 750–25,000 nm) offers a rapid means of assessing the chemical composition of a wide range of sample types, both for qualitative and quantitative analyses. Its use in the food industry has increased significantly over the past five decades and it is now an accepted analytical technique for the routine analysis of certain analytes. Furthermore, it is commonly used for routine screening and quality control purposes in numerous industry settings, albeit not typically for the analysis of bioactive compounds. Using the Scopus database, a systematic search ...
Source: Molecules - April 4, 2023 Category: Chemistry Authors: Joel B. Johnson Kerry B. Walsh Mani Naiker Kashif Ameer Tags: Review Source Type: research

Molecules, Vol. 28, Pages 3228: Therapeutic Potential of Albumin Nanoparticles Encapsulated Visnagin in MDA-MB-468 Triple-Negative Breast Cancer Cells
iah Pooi Ling Mok Breast cancer is among the most recurrent malignancies, and its prevalence is rising. With only a few treatment options available, there is an immediate need to search for better alternatives. In this regard, nanotechnology has been applied to develop potential chemotherapeutic techniques, particularly for cancer therapy. Specifically, albumin-based nanoparticles are a developing platform for the administration of diverse chemotherapy drugs owing to their biocompatibility and non-toxicity. Visnagin, a naturally derived furanochromone, treats cancers, epilepsy, angina, coughs, and inflammatory illnes...
Source: Molecules - April 4, 2023 Category: Chemistry Authors: Abdullah Alsrhani Abozer Y. Elderdery Badr Alzahrani Nasser A. N. Alzerwi Maryam Musleh Althobiti Musaed Rayzah Bandar Idrees Ahmed M. E. Elkhalifa Suresh K. Subbiah Pooi Ling Mok Tags: Article Source Type: research