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Total 992 results found since Jan 2013.

Molecules, Vol. 27, Pages 4913: Improving the Enzymatic Cascade of Reactions for the Reduction of CO2 to CH3OH in Water: From Enzymes Immobilization Strategies to Cofactor Regeneration and Cofactor Suppression
detto The need to decrease the concentration of CO2 in the atmosphere has led to the search for strategies to reuse such molecule as a building block for chemicals and materials or a source of carbon for fuels. The enzymatic cascade of reactions that produce the reduction of CO2 to methanol seems to be a very attractive way of reusing CO2; however, it is still far away from a potential industrial application. In this review, a summary was made of all the advances that have been made in research on such a process, particularly on two salient points: enzyme immobilization and cofactor regeneration. A brief overview of th...
Source: Molecules - August 2, 2022 Category: Chemistry Authors: Carmela Di Spiridione Michele Aresta Angela Dibenedetto Tags: Review Source Type: research

Molecules, Vol. 27, Pages 4887: In Silico Screening of Quorum Sensing Inhibitor Candidates Obtained by Chemical Similarity Search
n Lee Quorum sensing (QS) is a bacterial communication using signal molecules, by which they sense population density of their own species, leading to group behavior such as biofilm formation and virulence. Autoinducer-2 (AI2) is a QS signal molecule universally used by both gram-positive and gram-negative bacteria. Inhibition of QS mediated by AI2 is important for various practical applications, including prevention of gum-disease caused by biofilm formation of oral bacteria. In this research, molecular docking and molecular dynamics (MD) simulations were performed for molecules that are chemically similar to known AI...
Source: Molecules - July 30, 2022 Category: Chemistry Authors: Sharath Belenahalli Shekarappa Hrvoje Rimac Julian Lee Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4861: Biofilm-i: A Platform for Predicting Biofilm Inhibitors Using Quantitative Structure & mdash;Relationship (QSAR) Based Regression Models to Curb Antibiotic Resistance
Molecules, Vol. 27, Pages 4861: Biofilm-i: A Platform for Predicting Biofilm Inhibitors Using Quantitative Structure—Relationship (QSAR) Based Regression Models to Curb Antibiotic Resistance Molecules doi: 10.3390/molecules27154861 Authors: Akanksha Rajput Kailash T. Bhamare Anamika Thakur Manoj Kumar Antibiotic drug resistance has emerged as a major public health threat globally. One of the leading causes of drug resistance is the colonization of microorganisms in biofilm mode. Hence, there is an urgent need to design novel and highly effective biofilm inhibitors that can work either synergisticall...
Source: Molecules - July 29, 2022 Category: Chemistry Authors: Akanksha Rajput Kailash T. Bhamare Anamika Thakur Manoj Kumar Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4739: Solanaceae Family Phytochemicals as Inhibitors of 3C-Like Protease of SARS-CoV-2: An In Silico Analysis
In this study, we have examined the binding energies of several alkaloids and anthocyanin derivatives from the Solanaceae family, a family which contains common consumable vegetables and fruit items such as eggplant, pepper, and tomatoes. Our study demonstrates that Solanaceae family alkaloids such as incanumine and solaradixine, as well as anthocyanins and anthocyanidins, have very high predicted binding energies for the 3C-like protease of SARS-CoV-2 (also known as Mpro). Since Mpro is vital for SARS-CoV-2 replication, the compounds merit potential for further antiviral research towards the objective of obtaining affordable drugs.
Source: Molecules - July 25, 2022 Category: Chemistry Authors: Raisul Awal Mahmood Anamul Hasan Mohammed Rahmatullah Alok K. Paul Rownak Jahan Khoshnur Jannat Tohmina Afroze Bondhon Tooba Mahboob Veeranoot Nissapatorn Maria de Lourdes Pereira Tridib K. Paul Ommay Hany Rumi Christophe Wiart Polrat Wilairatana Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4756: Peptide Biomarkers Discovery for Seven Species of Deer Antler Using LC-MS/MS and Label-Free Approach
In this study, we performed a comprehensive antler peptidome analysis using a label-free approach: nano LC-Orbitrap MS was applied to discover peptide biomarkers in deer adult beta-globin (HBBA), and HPLC-Triple Quadrupole MS was used to verify their specificity. Nineteen peptide biomarkers were found, on which foundation a strategy for antlers and a strategy for antler mixtures such as flakes or powder are provided to identify seven species of deer antler including Eurasian elk (Alces alces), reindeer (Rangifer tarandus), white-tailed deer (Odocoileus viginianus), white-lipped deer (Przewalskium albirostris), fallow deer ...
Source: Molecules - July 25, 2022 Category: Chemistry Authors: Fei Xue Bing Wang Dong-Xiao Guo Yang Jiao Xue Yin Wei-Liang Cui Qian-Qian Zhou Feng-Rui Yu Yong-Qiang Lin Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4669: Trends on CO2 Capture with Microalgae: A Bibliometric Analysis
A. Sáez The alarming levels of carbon dioxide (CO2) are an environmental problem that affects the economic growth of the world. CO2 emissions represent penalties and restrictions due to the high carbon footprint. Therefore, sustainable strategies are required to reduce the negative impact that occurs. Among the potential systems for CO2 capture are microalgae. These are defined as photosynthetic microorganisms that use CO2 and sunlight to obtain oxygen (O2) and generate value-added products such as biofuels, among others. Despite the advantages that microalgae may present, there are still technical–econo...
Source: Molecules - July 22, 2022 Category: Chemistry Authors: Alejandra M. Miranda Fabian Hernandez-Tenorio David Ocampo Gabriel J. Vargas Alex A. S áez Tags: Review Source Type: research

Molecules, Vol. 27, Pages 4505: Vietnamese Dalbergia tonkinensis: A Promising Source of Mono- and Bifunctional Vasodilators
In conclusion, Dalbergia tonkinensis is a valuable source of mono- and bifunctional, vasoactive scaffolds for the development of novel antihypertensive drugs.
Source: Molecules - July 14, 2022 Category: Chemistry Authors: Nguyen Manh Cuong Ninh The Son Ngu Truong Nhan Yoshiyasu Fukuyama Amer Ahmed Simona Saponara Alfonso Trezza Beatrice Gianibbi Ginevra Vigni Ottavia Spiga Fabio Fusi Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4491: Prenylated Flavonoids in Topical Infections and Wound Healing
lová The review presents prenylated flavonoids as potential therapeutic agents for the treatment of topical skin infections and wounds, as they can restore the balance in the wound microenvironment. A thorough two-stage search of scientific papers published between 2000 and 2022 was conducted, with independent assessment of results by two reviewers. The main criteria were an MIC (minimum inhibitory concentration) of up to 32 µg/mL, a microdilution/macrodilution broth method according to CLSI (Clinical and Laboratory Standards Institute) or EUCAST (European Committee on Antimicrobial Susceptibility Testin...
Source: Molecules - July 13, 2022 Category: Chemistry Authors: Alice Sychrov á Gabriela Škovranová Marie Čulenová Silvia Bittner Bittner Fialov á Tags: Review Source Type: research

Molecules, Vol. 27, Pages 4360: The Modulation of Melanogenesis in B16 Cells Upon Treatment with Plant Extracts and Isolated Plant Compounds
aw Zajdel Plants are a rich source of secondary metabolites that exhibit numerous desired properties. The compounds may influence the biology of melanocytes, pigment cells that produce melanin, by modulating numerous signaling pathways, including cAMP/PKA, MAPKs and PI3K/AKT. Its downstream target is microphthalmia-associated transcription factor, responsible for the expression of the tyrosinase enzyme, which plays a major role in melanogenesis. Therefore, this literature review aims to provide insights related to melanogenesis modulation mechanisms of plant extracts and isolated plant compounds in B16 cells. Database ...
Source: Molecules - July 7, 2022 Category: Chemistry Authors: Anna Merecz-Sadowska Przemys ław Sitarek Tomasz Kowalczyk Karolina Zajdel Ewa Kucharska Rados ław Zajdel Tags: Review Source Type: research

Molecules, Vol. 27, Pages 4282: Chemical Composition, Anti-Breast Cancer Activity and Extraction Techniques of Ent-Abietane Diterpenoids from Euphorbia fischeriana Steud
ng Yu Sun Ent-abietane diterpenoids are the main active constituents of Euphorbia fischeriana. In the continuing search for new anti-breast cancer drugs, 11 ent-abietane diterpenoids (1–11) were isolated from E. fischeriana. The structures of these compounds were clearly elucidated on the basis of 1D and 2D NMR spectra as well as HRESIMS data. Among them, compound 1 was a novel compound, compound 10 was isolated from Euphorbia genus for the first time, compound 11 was firstly discovered from E. fischeriana. These compounds exhibited varying degrees of growth inhibition against the MCF-10A, MCF-7, ZR-75-...
Source: Molecules - July 3, 2022 Category: Chemistry Authors: Gang Chen Tiancheng Ma Yukun Ma Cuicui Han Jinling Zhang Yu Sun Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4261: Amplified Spontaneous Emission Threshold Dependence on Determination Method in Dye-Doped Polymer and Lead Halide Perovskite Waveguides
ko Marco Anni Nowadays, the search for novel active materials for laser devices is proceeding faster and faster thanks to the development of innovative materials able to combine excellent stimulated emission properties with low-cost synthesis and processing techniques. In this context, amplified spontaneous emission (ASE) properties are typically investigated to characterize the potentiality of a novel material for lasers, and a low ASE threshold is used as the key parameter to select the best candidate. However, several different methods are currently used to define the ASE threshold, hindering meaningful comparison...
Source: Molecules - July 1, 2022 Category: Chemistry Authors: Stefania Milanese Maria Luisa De Giorgi Luis Cerd án Maria-Grazia La-Placa Nur Fadilah Jamaludin Annalisa Bruno Henk J. Bolink Maksym V. Kovalenko Marco Anni Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4251: The Chemical Composition and Biological Activities of Essential Oil from Korean Native Thyme Bak-Ri-Hyang (Thymus quinquecostatus Celak.)
In conclusion, this review will be helpful for utilizing the T. quinquecostatus plant in different industries including food, pharmaceuticals, pesticides, perfumery, and cosmetics.
Source: Molecules - July 1, 2022 Category: Chemistry Authors: Minju Kim Kandhasamy Sowndhararajan Songmun Kim Tags: Review Source Type: research

Molecules, Vol. 27, Pages 4240: Ziziphus nummularia: A Comprehensive Review of Its Phytochemical Constituents and Pharmacological Properties
Conclusion: Research into the phytochemical and pharmacological properties of Z. nummularia has demonstrated that this plant is a rich source of novel bioactive compounds. So far, Z. nummularia has shown a varied pharmacological profile (antioxidant, anticancer, anti-inflammatory, and cardioprotective), warranting further research to uncover the therapeutic potential of the bioactives of this plant. Taken together, Z. nummularia may represent a new potential target for the discovery of new drug leads.
Source: Molecules - June 30, 2022 Category: Chemistry Authors: Joelle Mesmar Rola Abdallah Adnan Badran Marc Maresca Abdullah Shaito Elias Baydoun Tags: Review Source Type: research

Molecules, Vol. 27, Pages 4213: Catalytic Performance of Immobilized Sulfuric Acid on Silica Gel for N-Formylation of Amines with Triethyl Orthoformate
rause In the search for convenient, green, and practical catalytic methods for the current interest in organic synthesis, a simple, green, and highly efficient protocol for N-formylation of various amines was carried out in the presence of immobilized sulfuric acid on silica gel (H2SO4–SiO2). All reactions were performed in refluxing triethyl orthoformate (65 °C). The product formamides were obtained with high-to-excellent yields within 4 min to 2 h. The current approach is advantageous, due to its short reaction time and high yields. The catalyst is recyclable with no significant loss in catalytic efficiency.
Source: Molecules - June 30, 2022 Category: Chemistry Authors: Sodeeq Aderotimi Salami Xavier Siwe-Noundou Rui W. M. Krause Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4210: In Silico Screening of Novel TMPRSS2 Inhibitors for Treatment of COVID-19
Wang COVID-19, a pandemic caused by the virus SARS-CoV-2, has spread globally, necessitating the search for antiviral compounds. Transmembrane protease serine 2 (TMPRSS2) is a cell surface protease that plays an essential role in SARS-CoV-2 infection. Therefore, researchers are searching for TMPRSS2 inhibitors that can be used for the treatment of COVID-19. As such, in this study, based on the crystal structure, we targeted the active site of TMPRSS2 for virtual screening of compounds in the FDA database. Then, we screened lumacaftor and ergotamine, which showed strong binding ability, using 100 ns molecular dynamics ...
Source: Molecules - June 30, 2022 Category: Chemistry Authors: Shuo Wang Xuexun Fang Ye Wang Tags: Article Source Type: research