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Source: Molecules

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Total 986 results found since Jan 2013.

Molecules, Vol. 27, Pages 3581: Leptin in Human Milk & mdash;One of the Key Regulators of Nutritional Programming
Molecules, Vol. 27, Pages 3581: Leptin in Human Milk—One of the Key Regulators of Nutritional Programming Molecules doi: 10.3390/molecules27113581 Authors: Elena Sinkiewicz-Darol Iwona Adamczyk Katarzyna Łubiech Gabriela Pilarska Magdalena Twarużek Breast milk is the optimal food for infants and toddlers, providing basic nutrients. It is also a source of many biologically active substances. Among them are hormones responsible for metabolic balance. One of the hormones taken in with breast milk by a breastfed baby is leptin. This hormone is involved in the regulation of appetite, informing the br...
Source: Molecules - June 2, 2022 Category: Chemistry Authors: Elena Sinkiewicz-Darol Iwona Adamczyk Katarzyna Łubiech Gabriela Pilarska Magdalena Twaru żek Tags: Review Source Type: research

Molecules, Vol. 27, Pages 3546: Bicyclic Isoxazoline Derivatives: Synthesis and Evaluation of Biological Activity
va Milaeva Averina The application of non-planar scaffolds in drug design allows for the enlargement of the chemical space, and for the construction of molecules that have more effective target–ligand interactions or are less prone to the development of resistance. Among the works of the last decade, a literature search revealed spirothiazamenthane, which has served as a lead in the development of derivatives active against resistant viral strains. In this work, we studied the novel molecular scaffold, which resembles spirothiazamenthane, but combines isoxazoline as a heterocycle and cyclooctane rin...
Source: Molecules - May 31, 2022 Category: Chemistry Authors: Sedenkova Andriasov Eremenko Grishin Alferova Baranova Zefirov Zefirova Zarubaev Gracheva Milaeva Averina Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3486: Proapoptotic Effect and Molecular Docking Analysis of Curcumin & ndash;Resveratrol Hybrids in Colorectal Cancer Chemoprevention
Molecules, Vol. 27, Pages 3486: Proapoptotic Effect and Molecular Docking Analysis of Curcumin–Resveratrol Hybrids in Colorectal Cancer Chemoprevention Molecules doi: 10.3390/molecules27113486 Authors: Moreno-Q Herrera-R Yepes Naranjo Cardona-G Different hybrids based on curcumin and resveratrol were previously synthesized and characterized by spectroscopic techniques. The most active molecules (3a, 3e, 3i, and 3k) were evaluated in vitro as an approach to determine the possible mechanism of action of the hybrids. The results indicated that the evaluated curcumin/resveratrol hybrids induce mi...
Source: Molecules - May 28, 2022 Category: Chemistry Authors: Moreno-Q Herrera-R Yepes Naranjo Cardona-G Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3380: Evaluation of Neurotropic Activity and Molecular Docking Study of New Derivatives of pyrano4 & Prime;,3 & Prime;:4 & prime;,5 & prime;pyrido3 & prime;,2 & prime;:4,5thieno3,2-dpyrimidines on the Basis of pyrano3,4-cpyridines
Conclusions: Тhe selected compounds have an anticonvulsant, activating behavior and anxiolytic effects and at the same time exhibit antidepressant effects.
Source: Molecules - May 24, 2022 Category: Chemistry Authors: Dashyan Babaev Paronikyan Ayvazyan Paronikyan Hunanyan Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3365: Antiviral Activities of Officinaloside C against Herpes Simplex Virus-1
This study aimed to explore the anti-HSV-1 effects of iridoids from the aerial parts of Morinda officinalis. The dried aerial parts of Morinda officinalis were extracted with 95% ethanol and systematic separation and purification were then carried out by modern column chromatography methods such as silica gel column, RP-ODS column, Sephadex LH-20 gel column, and semi-preparative liquid phase, and the structure of these compounds were identified through the physical and chemical properties and a variety of spectral techniques. The obtained seven new iridoid compounds were screened for antiviral activity on HSV-1 through CCK...
Source: Molecules - May 24, 2022 Category: Chemistry Authors: Ji Xiao Miaomiao Cai Yifei Wang Ping Ding Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3350: Diclofenac Ion Hydration: Experimental and Theoretical Search for Anion Pairs
Vener Self-assembly of organic ions in aqueous solutions is a hot topic at the present time, and substances that are well-soluble in water are usually studied. In this work, aqueous solutions of sodium diclofenac are investigated, which, like most medicinal compounds, is poorly soluble in water. Classical MD modeling of an aqueous solution of diclofenac sodium showed equilibrium between the hydrated anion and the hydrated dimer of the diclofenac anion. The assignment and interpretation of the bands in the UV, NIR, and IR spectra are based on DFT calculations in the discrete-continuum approximation. It has been shown...
Source: Molecules - May 23, 2022 Category: Chemistry Authors: Shishkina Ksenofontov Penkov Vener Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3287: Production and Analysis of the Physicochemical Properties of the Pyrolytic Oil Obtained from Pyrolysis of Different Thermoplastics and Plastic Mixtures
es Bruno The constant search for the proper management of non-degradable waste in conjunction with the circular economy makes the thermal pyrolysis of plastics an important technique for obtaining products with industrial interest. The present study aims to produce pyrolytic oil from thermoplastics and their different mixtures in order to determine the best performance between these and different mixtures, as well as to characterize the liquid fraction obtained to analyze its use based on said properties. This was carried out in a batch type reactor at a temperature of 400 °C for both individual plastics an...
Source: Molecules - May 20, 2022 Category: Chemistry Authors: Paul Palmay Carla Haro Iv án Huacho Diego Barzallo Joan Carles Bruno Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3280: In Search of Synergistic Insect Repellents: Modeling of Muscarinic GPCR Interactions with Classical and Bitopic Photoactive Ligands
Nowak Insect vector-borne diseases pose serious health problems, so there is a high demand for efficient molecules that could reduce transmission. Using molecular docking and molecular dynamics (MD) simulation, we studied a series of compounds acting on human and insect muscarinic acetylcholine receptors (mAChRs), a novel target of synergistic agents in pest control. We characterized early conformational changes of human M1 and fruit fly type-A mAChR G protein-coupled receptors (GPCRs) in response to DEET, IR3535, and muscarine binding based on the MD analysis of the activation microswitches known to form the signal tr...
Source: Molecules - May 20, 2022 Category: Chemistry Authors: Beata Niklas Bruno Lapied Wieslaw Nowak Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3278: Spectroscopic Characterization of 3-Aminoisoxazole, a Prebiotic Precursor of Ribonucleotides
istina Puzzarini The processes and reactions that led to the formation of the first biomolecules on Earth play a key role in the highly debated theme of the origin of life. Whether the first chemical building blocks were generated on Earth (endogenous synthesis) or brought from space (exogenous delivery) is still unanswered. The detection of complex organic molecules in the interstellar medium provides valuable support to the latter hypothesis. To gather more insight, here we provide the astronomers with accurate rotational frequencies to guide the interstellar search of 3-aminoisoxazole, which has been recently envisa...
Source: Molecules - May 20, 2022 Category: Chemistry Authors: Alessio Melli Mattia Melosso Kevin G. Lengsfeld Luca Bizzocchi V íctor M. Rivilla Luca Dore Vincenzo Barone Jens-Uwe Grabow Cristina Puzzarini Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3249: Microarray Analysis of the Genomic Effect of Eugenol on Methicillin-Resistant Staphylococcus aureus
This study enables us to examine complete global transcriptomic responses in MRSA when challenged with eugenol. It reveals novel information with the potential to further benefit the exploratory quest for novel targets against this pathogen, with a view to the development of efficacious antimicrobial agents for the treatment of associated infections.
Source: Molecules - May 19, 2022 Category: Chemistry Authors: Ayuba Sunday Buru Vasantha Kumari Neela Kavitha Mohandas Mallikarjuna Rao Pichika Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3222: Determination of Anti-Alzheimer & rsquo;s Disease Activity of Selected Plant Ingredients
This study also aims to highlight species with assessed efficacy, usable plant parts and the most active plant components in order to identify species and compounds of interest for further study. Future research directions are suggested and recommendations made to expand the use of medicinal plants, their formulations and plant-derived active compounds to prevent, mitigate and treat Alzheimer’s disease.
Source: Molecules - May 18, 2022 Category: Chemistry Authors: Tomasz Tuzimski Anna Petruczynik Tags: Review Source Type: research

Molecules, Vol. 27, Pages 3164: Biotransformation of Phytosterols into Androstenedione & mdash;A Technological Prospecting Study
Molecules, Vol. 27, Pages 3164: Biotransformation of Phytosterols into Androstenedione—A Technological Prospecting Study Molecules doi: 10.3390/molecules27103164 Authors: Victor Oliveira Nunes Nathália de Castro Vanzellotti Jully Lacerda Fraga Fernando Luiz Pellegrini Pessoa Tatiana Felix Ferreira Priscilla Filomena Fonseca Amaral Androstenedione (AD) is a key intermediate in the body’s steroid metabolism, used as a precursor for several steroid substances, such as testosterone, estradiol, ethinyl estradiol, testolactone, progesterone, cortisone, cortisol, prednisone, and predniso...
Source: Molecules - May 15, 2022 Category: Chemistry Authors: Victor Oliveira Nunes Nath ália de Castro Vanzellotti Jully Lacerda Fraga Fernando Luiz Pellegrini Pessoa Tatiana Felix Ferreira Priscilla Filomena Fonseca Amaral Tags: Review Source Type: research

Molecules, Vol. 27, Pages 3131: Mucuna pruriens Seed Aqueous Extract Improved Neuroprotective and Acetylcholinesterase Inhibitory Effects Compared with Synthetic L-Dopa
rong Kw.hao L-dopa, a dopaminergic agonist, is the gold standard for the treatment of Parkinson’s disease. However, due to the long-term toxicity and adverse effects of using L-dopa as the first-line therapy for Parkinson’s disease, a search for alternative medications is an important current challenge. Traditional Ayurvedic medicine has suggested the use of Mucuna pruriens Linn. (Fabaceae) as an anti-Parkinson’s agent. The present study aimed to quantify the amount of L-dopa in M. pruriens seed extract by HPLC analysis. The cytotoxicity and neuroprotective properties of M. pru...
Source: Molecules - May 13, 2022 Category: Chemistry Authors: Narisa Kamkaen Chuda Chittasupho Suwanna Vorarat Sarin Tadtong Watoo Phrompittayarat Siriporn Okonogi Pakakrong Kwankhao Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3104: Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study
oustafa Paul W. Paré Mohamed-Elamir F. Hegazy The P-glycoprotein (P-gp/ABCB1) is responsible for a xenobiotic efflux pump that shackles intracellular drug accumulation. Additionally, it is included in the dud of considerable antiviral and anticancer chemotherapies because of the multidrug resistance (MDR) phenomenon. In the search for prospective anticancer drugs that inhibit the ABCB1 transporter, the Natural Product Activity and Species Source (NPASS) database, containing >35,000 molecules, was explored for identifying ABCB1 inhibitors. The performance of AutoDock4.2.6 software to anticipate ABCB1 doc...
Source: Molecules - May 12, 2022 Category: Chemistry Authors: Mahmoud A. A. Ibrahim Khlood A. A. Abdeljawaad Alaa H. M. Abdelrahman Laila A. Jaragh-Alhadad Hesham Farouk Oraby Eslam B. Elkaeed Gamal A. H. Mekhemer Gamal A. Gabr Ahmed M. Shawky Peter A. Sidhom Mahmoud E. S. Soliman Mahmoud F. Moustafa Paul W. Par é Tags: Article Source Type: research

Molecules, Vol. 27, Pages 3099: The Signaling Pathways and Targets of Natural Compounds from Traditional Chinese Medicine in Treating Ischemic Stroke
This study aims to update and summarize the signaling pathways and targets of natural compounds in the treatment of IS, and provide a base of information for the future development of effective treatments for IS.
Source: Molecules - May 12, 2022 Category: Chemistry Authors: Xing-Hua Li Feng-Ting Yin Xiao-Hang Zhou Ai-Hua Zhang Hui Sun Guang-Li Yan Xi-Jun Wang Tags: Review Source Type: research