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Source: Molecules
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Total 981 results found since Jan 2013.
Molecules, Vol. 28, Pages 1092: Developed and Validated Capillary Isotachophoresis Method for the Rapid Determining Organic Acids in Children & rsquo;s Saliva
This study aims to develop a reliable analytical method using the capillary isotachophoresis technique for the determination of organic acids in children’s saliva, the presence/elevation of which can be used in the future for diagnostic purposes. Organic acids such as formic, lactic, acetic, propionic, and butyric acid, were determined in the saliva of healthy children without carious lesions. The limit of quantification determined in the validation process was found to vary from 0.05 to 1.56 mg/L, the recoveries at the two levels were determined to vary between 90% and 110% for level I, while for level II th...
Source: Molecules - January 21, 2023 Category: Chemistry Authors: Justyna Dobrowolska-Iwanek Ma łgorzata Jamka-Kasprzyk Marcelina Rusin Pawe ł Paśko Sviatoslav Grekh Anna Jurczak Tags: Communication Source Type: research
Molecules, Vol. 28, Pages 1019: Effect of Agrimonia eupatoria L. and Origanum vulgare L. Leaf, Flower, Stem, and Root Extracts on the Survival of Pseudomonas aeruginosa
Ryšlavá
Pseudomonas aeruginosa is one of the most antibiotic multi-resistant bacteria, causing chronic pulmonary disease and leading to respiratory failure and even mortality. Thus, there has been an ever-increasing search for novel and preferably natural antimicrobial compounds. Agrimonia eupatoria L. and Origanum vulgare L. shoots are commonly used as teas or alcoholic tinctures for their human health-promoting and antibacterial properties. Here, we explored the antimicrobial effects of all plant parts, i.e., leaf, flower, stem, and root extracts, prepared in water or in 60% ethanol, against P. aeruginosa. The impa...
Source: Molecules - January 19, 2023 Category: Chemistry Authors: Kate Å™ina BÄ›lonožnÃková Eli Å¡ka Sladkovská Daniel Kavan Veronika H ýsková Petr Hodek Daniel Å mÃd Helena Ry Å¡lavá Tags: Article Source Type: research
Molecules, Vol. 28, Pages 938: Quercetin: A Functional Food-Flavonoid Incredibly Attenuates Emerging and Re-Emerging Viral Infections through Immunomodulatory Actions
Atiar Rahman
Many of the medicinally active molecules in the flavonoid class of phytochemicals are being researched for their potential antiviral activity against various DNA and RNA viruses. Quercetin is a flavonoid that can be found in a variety of foods, including fruits and vegetables. It has been reported to be effective against a variety of viruses. This review, therefore, deciphered the mechanistic of how Quercetin works against some of the deadliest viruses, such as influenza A, Hepatitis C, Dengue type 2 and Ebola virus, which cause frequent outbreaks worldwide and result in significant morbidity and mortalit...
Source: Molecules - January 17, 2023 Category: Chemistry Authors: Fauzia Mahanaz Shorobi Fatema Yasmin Nisa Srabonti Saha Muhammad Abid Hasan Chowdhury Mayuna Srisuphanunt Kazi Helal Hossain Md. Atiar Rahman Tags: Review Source Type: research
Molecules, Vol. 28, Pages 928: Design and Synthesis of New Modified Flexible Purine Bases as Potential Inhibitors of Human PNP
Elena Matyugina
The great interest in studying the structure of human purine nucleoside phosphorylase (hPNP) and the continued search for effective inhibitors is due to the importance of the enzyme as a target in the therapy of T-cell proliferative diseases. In addition, hPNP inhibitors are used in organ transplant surgeries to provide immunodeficiency during and after the procedure. Previously, we showed that members of the well-known fleximer class of nucleosides are substrates of E. coli PNP. Fleximers have great promise as they have exhibited significant biological activity against a number of viruses of pandemic c...
Source: Molecules - January 17, 2023 Category: Chemistry Authors: Anastasia Khandazhinskaya Ilja Fateev Barbara Eletskaya Anna Maslova Irina Konstantinova Katherine Seley-Radtke Sergey Kochetkov Elena Matyugina Tags: Article Source Type: research
Molecules, Vol. 28, Pages 909: In Silico Identification of 1-DTP Inhibitors of Corynebacterium diphtheriae Using Phytochemicals from Andrographis paniculata
thi Shehata
A number of phytochemicals have been identified as promising drug molecules against a variety of diseases using an in-silico approach. The current research uses this approach to identify the phyto-derived drugs from Andrographis paniculata (Burm. f.) Wall. ex Nees (AP) for the treatment of diphtheria. In the present study, 18 bioactive molecules from Andrographis paniculata (obtained from the PubChem database) were docked against the diphtheria toxin using the AutoDock vina tool. Visualization of the top four molecules with the best dockscore, namely bisandrographolide (−10.4), andrographiside...
Source: Molecules - January 16, 2023 Category: Chemistry Authors: Jameel M. Al-Khayri Sakshi Dubey Gopishankar Thirumoorthy Praveen Nagella Adel Abdel-Sabour Rezk Wael Fathi Shehata Tags: Article Source Type: research
Molecules, Vol. 28, Pages 844: DEML: Drug Synergy and Interaction Prediction Using Ensemble-Based Multi-Task Learning
ng He
Xiaochen Bo
Synergistic drug combinations have demonstrated effective therapeutic effects in cancer treatment. Deep learning methods accelerate identification of novel drug combinations by reducing the search space. However, potential adverse drug–drug interactions (DDIs), which may increase the risks for combination therapy, cannot be detected by existing computational synergy prediction methods. We propose DEML, an ensemble-based multi-task neural network, for the simultaneous optimization of five synergy regression prediction tasks, synergy classification, and DDI classification tasks. DEML use...
Source: Molecules - January 14, 2023 Category: Chemistry Authors: Zhongming Wang Jiahui Dong Lianlian Wu Chong Dai Jing Wang Yuqi Wen Yixin Zhang Xiaoxi Yang Song He Xiaochen Bo Tags: Article Source Type: research
Molecules, Vol. 28, Pages 789: An Exemestane Derivative, Oxymestane-D1, as a New Multi-Target Steroidal Aromatase Inhibitor for Estrogen Receptor-Positive (ER+) Breast Cancer: Effects on Sensitive and Resistant Cell Lines
M. F. Roleira
Around 70–85% of all breast cancer (BC) cases are estrogen receptor-positive (ER+). The third generation of aromatase inhibitors (AIs) is the first-line treatment option for these tumors. Despite their therapeutic success, they induce several side effects and resistance, which limits their efficacy. Thus, it is crucial to search for novel, safe and more effective anti-cancer molecules. Currently, multi-target drugs are emerging, as they present higher efficacy and lower toxicity in comparison to standard options. Considering this, this work aimed to investigate the anti-cancer properties an...
Source: Molecules - January 12, 2023 Category: Chemistry Authors: Cristina Amaral Georgina Correia-da-Silva Cristina Ferreira Almeida Maria Jo ão Valente Carla Varela Elisi ário Tavares-da-Silva Anne Marie Vinggaard Nat ércia Teixeira Fernanda M. F. Roleira Tags: Article Source Type: research
Molecules, Vol. 28, Pages 761: A Simple Synthesis of Reduction-Responsive Acrylamide-Type Nanogels for miRNA Delivery
In this study, acrylamide-based nanogels containing cationic groups and redox-sensitive crosslinkers were developed for cellular delivery of anti-miR21 (a-miR21). To achieve this, post-polymerization loading of a-miR21 oligonucleotides into nanogels was performed by utilizing the electrostatic interaction between positively charged nanogels and negatively charged oligonucleotides. Different molar ratios of the amine groups (N) on the cationic nanogel and phosphate groups (P) on the miRNA were investigated. An N/P ratio of 2 allowed high miRNA loading capacity (MLC, 6.7% w/w) and miRNA loading efficiency (MLE, 99.7% w/w). S...
Source: Molecules - January 12, 2023 Category: Chemistry Authors: Ali Maruf Ma Å‚gorzata Milewska Anna Lalik Sebastian Student Ilona Wandzik Tags: Article Source Type: research
Molecules, Vol. 28, Pages 750: Molecular Aspects and Therapeutic Implications of Herbal Compounds Targeting Different Types of Cancer
ona Gabriela Bungau
Due to genetic changes in DNA (deoxyribonucleic acid) sequences, cancer continues to be the second most prevalent cause of death. The traditional target-directed approach, which is confronted with the importance of target function in healthy cells, is one of the most significant challenges in anticancer research. Another problem with cancer cells is that they experience various mutations, changes in gene duplication, and chromosomal abnormalities, all of which have a direct influence on the potency of anticancer drugs at different developmental stages. All of these factors combine to make cancer med...
Source: Molecules - January 11, 2023 Category: Chemistry Authors: Aditi Sharma Lalit Sharma Shouvik Kumar Nandy Nazrana Payal Shivam Yadav Celia Vargas-De-La-Cruz Md. Khalid Anwer Haroon Khan Tapan Behl Simona Gabriela Bungau Tags: Review Source Type: research
Molecules, Vol. 28, Pages 741: Amino Derivatives of Diaryl Pyrimidines and Azolopyrimidines as Protective Agents against LPS-Induced Acute Lung Injury
Rusinov
Valery Charushin
The problem of lung damage originating from excessive inflammation and cytokine release during various types of infections remains relevant and stimulates the search for highly effective and safe drugs. The biological activity of the latter may be associated with the regulation of hyperactivation of certain immune cells and enzymes. Here, we propose the design and synthesis of amino derivatives of 4,6- and 5,7-diaryl substituted pyrimidines and [1,2,4]triazolo[1,5-a]pyrimidines as promising double-acting pharmacophores inhibiting IL-6 and NO. The anti-inflammatory activity of 14 target compo...
Source: Molecules - January 11, 2023 Category: Chemistry Authors: Alexander Spasov Irina Ovchinnikova Olga Fedorova Yulia Titova Denis Babkov Vadim Kosolapov Alexander Borisov Elena Sokolova Vladlen Klochkov Maria Skripka Yulia Velikorodnaya Alexey Smirnov Gennady Rusinov Valery Charushin Tags: Article Source Type: research
Molecules, Vol. 28, Pages 728: Global Search for Stable C4H5NO Compounds & mdash;Guinness Molecules and Stability Islands
Molecules, Vol. 28, Pages 728: Global Search for Stable C4H5NO Compounds—Guinness Molecules and Stability Islands
Molecules doi: 10.3390/molecules28020728
Authors:
Oleg A. Mikhaylov
Ilya D. Gridnev
Global reaction route mapping (GRRM) analysis for compounds with the formula C4H5NO allowed for the detection of the corresponding “Guinness molecules” 000 and 001, as well as around 150 other stable minima of the same composition. The results suggest that compounds of similar functionality form a kind of “Stability Island” with their free energies of fo...
Source: Molecules - January 11, 2023 Category: Chemistry Authors: Oleg A. Mikhaylov Ilya D. Gridnev Tags: Article Source Type: research
Molecules, Vol. 28, Pages 708: Indole Derivatives Bearing Imidazole, Benzothiazole-2-Thione or Benzoxazole-2-Thione Moieties & mdash;Synthesis, Structure and Evaluation of Their Cytoprotective, Antioxidant, Antibacterial and Fungicidal Activities
Molecules, Vol. 28, Pages 708: Indole Derivatives Bearing Imidazole, Benzothiazole-2-Thione or Benzoxazole-2-Thione Moieties—Synthesis, Structure and Evaluation of Their Cytoprotective, Antioxidant, Antibacterial and Fungicidal Activities
Molecules doi: 10.3390/molecules28020708
Authors:
Beata Jasiewicz
Karolina Babijczuk
Beata Warżajtis
Urszula Rychlewska
Justyna Starzyk
Grzegorz Cofta
Lucyna Mrówczyńska
In the search for new bioactive compounds, a methodology based on combining two molecules with biological properties into a new hybrid molecule was used to design and synthesize of a serie...
Source: Molecules - January 10, 2023 Category: Chemistry Authors: Beata Jasiewicz Karolina Babijczuk Beata War żajtis Urszula Rychlewska Justyna Starzyk Grzegorz Cofta Lucyna Mr ówczyńska Tags: Article Source Type: research
Molecules, Vol. 28, Pages 629: Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
‚ek
Edaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures between 298.15 K and 313.15 K. Measurements confirmed that ethaline (ETA = ChCl:EG = 1:2) and glyceline (GLE = ChCl:GL = 1:2) are very effective solvents for edaravone. The solubility at 298...
Source: Molecules - January 7, 2023 Category: Chemistry Authors: Piotr Cysewski Tomasz Jeli Å„ski Maciej Przyby Å‚ek Tags: Article Source Type: research
Molecules, Vol. 28, Pages 590: Synthesis, Biological Evaluation and Molecular Modeling Studies of Naphthoquinone Sulfonamides and Sulfonate Ester Derivatives as P2X7 Inhibitors
In this study, ten naphthoquinone sulfonamide derivatives and five naphthoquinone sulfonate ester derivatives were tested for their inhibitory activity on the P2X7 receptor expressed in peritoneal macrophages. Some compounds showed promising results, displaying IC50 values lower than that of A740003. Molecular docking and dynamic studies also indicated that the active compounds bind to an allosteric site on P2X7R. The binding free energy indicates that sulfonamides have an affinity for the P2X7 receptor similar to A740003. Therefore, the compounds studied herein present potential P2X7R inhibition.
Source: Molecules - January 6, 2023 Category: Chemistry Authors: Paulo Anast ácio Furtado Pacheco Daniel Tadeu Gomes Gonzaga Natalia Lidmar von Ranke Carlos Rangel Rodrigues David Rodrigues da Rocha Fernando de Carvalho da Silva Vitor Francisco Ferreira Robson Xavier Faria Tags: Article Source Type: research
Molecules, Vol. 28, Pages 552: Expression and Characterisation of the First Snail-Derived UDP-Gal: Glycoprotein-N-acetylgalactosamine & beta;-1,3-Galactosyltransferase (T-Synthase) from Biomphalaria glabrata
In this study we present the identification, expression and characterisation of the UDP-Gal: glycoprotein-N-acetylgalactosamine β-1,3-galactosyltransferase from the fresh-water snail Biomphalaria glabrata, which is the first cloned T-synthase from mollusc origin.
Source: Molecules - January 5, 2023 Category: Chemistry Authors: Marilica Zemkollari Markus Blaukopf Reingard Grabherr Erika Staudacher Tags: Article Source Type: research
