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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 4951: The Finally Rewarding Search for A Cytotoxic Isosteviol Derivative
l Csuk Acid hydrolysis of stevioside resulted in a 63% yield of isosteviol (1), which served as a starting material for the preparation of numerous amides. These compounds were tested for cytotoxic activity, employing a panel of human tumor cell lines, and almost all amides were found to be non-cytotoxic. Only the combination of isosteviol, a (homo)-piperazinyl spacer and rhodamine B or rhodamine 101 unit proved to be particularly suitable. These spacered rhodamine conjugates exhibited cytotoxic activity in the sub-micromolar concentration range. In this regard, the homopiperazinyl-spacered derivatives were found to...
Source: Molecules - June 23, 2023 Category: Chemistry Authors: Heisig Heise Hoenke Str öhl Csuk Tags: Article Source Type: research

Molecules, Vol. 24, Pages 3413: Design of Peptidomimetic Functionalized Cholesterol Based Lipid Nanoparticles for Efficient Delivery of Therapeutic Nucleic Acids
a Baigude Lipid nanoparticles (LNP) are the most potent carriers for the delivery of nucleic acid-based therapeutics. The first FDA approved a short interfering RNA (siRNA) drug that uses a cationic LNP system for the delivery of siRNA against human transthyretin (hTTR). However, preparation of such LNP involves tedious multi-step synthesis with relatively low yields. In the present study, we synthesized cationic peptidomimetic functionalized cholesterol (denote Chorn) in straightforward chemical approaches with high yield. When formulated with helper lipids, Chorn LNPs complexed with siRNA to form nanoparticles with a...
Source: Molecules - September 18, 2019 Category: Chemistry Authors: Ehexige Ehexige Tsogzolmaa Ganbold Xiang Yu Shuqin Han Huricha Baigude Tags: Article Source Type: research

Molecules, Vol. 25, Pages 1994: Nanoparticle-Mediated Gene Silencing for Sensitization of Lung Cancer to Cisplatin Therapy
M. Merkel Platinum-based chemotherapy remains a mainstay treatment for the management of advanced non-small cell lung cancer. A key cellular factor that contributes to sensitivity to platinums is the 5′-3′ structure-specific endonuclease excision repair cross-complementation group 1 (ERCC1)/ xeroderma pigmentosum group F (XPF). ERCC1/XPF is critical for the repair of platinum-induced DNA damage and has been the subject of intense research efforts to identify small molecule inhibitors of its nuclease activity for the purpose of enhancing patient response to platinum-based chemotherapy. As an ...
Source: Molecules - April 23, 2020 Category: Chemistry Authors: Daniel P. Feldmann Joshua Heyza Christoph M. Zimmermann Steve M. Patrick Olivia M. Merkel Tags: Brief Report Source Type: research

Molecules, Vol. 27, Pages 6412: Cheminformatics Modeling of Gene Silencing for Both Natural and Chemically Modified siRNAs
eng In designing effective siRNAs for a specific mRNA target, it is critically important to have predictive models for the potency of siRNAs. None of the published methods characterized the chemical structures of individual nucleotides constituting a siRNA molecule; therefore, they cannot predict the potency of gene silencing by chemically modified siRNAs (cm-siRNA). We propose a new approach that can predict the potency of gene silencing by cm-siRNAs, which characterizes each nucleotide (NT) using 12 BCUT cheminformatics descriptors describing its charge distribution, hydrophobic and polar properties. Thus, a 21-NT si...
Source: Molecules - September 28, 2022 Category: Chemistry Authors: Xialan Dong Weifan Zheng Tags: Article Source Type: research

Molecules, Vol. 20, Pages 7602-7619: Modulation of the RNA Interference Activity Using Central Mismatched siRNAs and Acyclic Threoninol Nucleic Acids (aTNA) Units
In this study, we investigate the potential correlations between the thermodynamic and silencing properties of siRNA molecules carrying, at internal positions, an acyclic L-threoninol nucleic acid (aTNA) modification. Depending on position, the silencing is weakened or impaired. Furthermore, we evaluate the contribution of mismatches facing either a natural nucleotide or an aTNA modification to the siRNA potency. The position 11 of the antisense strand is more permissive to mismatches and aTNA modification, in respect to the position 10. Additionally, comparing the ON-/OFF-target silencing of central mismatched siRNAs with...
Source: Molecules - April 24, 2015 Category: Chemistry Authors: Adele AlagiaMontserrat TerrazasRamon Eritja Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4537: Trans-( −)-Kusunokinin: A Potential Anticancer Lignan Compound against HER2 in Breast Cancer Cell Lines?
Molecules, Vol. 26, Pages 4537: Trans-(−)-Kusunokinin: A Potential Anticancer Lignan Compound against HER2 in Breast Cancer Cell Lines? Molecules doi: 10.3390/molecules26154537 Authors: Rattanaburee Tanawattanasuntorn Thongpanchang Tipmanee Graidist Trans-(−)-kusunokinin, an anticancer compound, binds CSF1R with low affinity in breast cancer cells. Therefore, finding an additional possible target of trans-(−)-kusunokinin remains of importance for further development. Here, a computational study was completed followed by indirect proof of specific target proteins using small interfering RNA (siRNA...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Rattanaburee Tanawattanasuntorn Thongpanchang Tipmanee Graidist Tags: Article Source Type: research

Molecules, Vol. 23, Pages 777: Polymer-Mediated Delivery of siRNAs to Hepatocellular Carcinoma: Variables Affecting Specificity and Effectiveness
Lucia Scarabel Marica Garziera Concetta Russo Spena Lucia De Stefano Barbara Salis Giuseppe Toffoli Flavio Rizzolio Gabriele Grassi Barbara Dapas Despite the advances in anticancer therapies, their effectiveness for many human tumors is still far from being optimal. Significant improvements in treatment efficacy can come from the enhancement of drug specificity. This goal may be achieved by combining the use of therapeutic molecules with tumor specific effects and delivery carriers with tumor targeting ability. In this regard, nucleic acid-based drug (NABD) and particularly small interfering RNAs (siR...
Source: Molecules - March 28, 2018 Category: Chemistry Authors: Rossella Farra Francesco Musiani Francesca Perrone Maja Čemažar Ur ška Kamenšek Federica Tonon Michela Abrami Ale š Ručigaj Mario Grassi Gabriele Pozzato Deborah Bonazza Fabrizio Zanconati Giancarlo Forte Maguie El Boustani Lucia Scarabel Marica Gar Tags: Review Source Type: research

Molecules, Vol. 24, Pages 1377: Regulation of the Nrf2 Pathway by Glycogen Synthase Kinase-3 β in MPP+-Induced Cell Damage
Molecules, Vol. 24, Pages 1377: Regulation of the Nrf2 Pathway by Glycogen Synthase Kinase-3β in MPP+-Induced Cell Damage Molecules doi: 10.3390/molecules24071377 Authors: Armagan Sevgili Gürkan Köse Bilgiç Dagcı Saso Recently, nuclear translocation and stability of nuclear factor erythroid 2 (NF-E2)-related factor 2 (Nrf2) have gained increasing attention in the prevention of oxidative stress. The present study was aimed to evaluate the regulatory role of glycogen synthase kinase-3β (GSK-3β) inhibition by tideglusib through the Nrf2 pathway in a cellular damage mod...
Source: Molecules - April 7, 2019 Category: Chemistry Authors: Armagan Sevgili G ürkan K öse Bilgi ç Dagc ı Saso Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4204: Triggering RNA Interference by Photoreduction under Red Light Irradiation
khir RNA interference (RNAi) using small interfering RNAs (siRNAs) is a powerful tool to target any protein of interest and is becoming more suitable for in vivo applications due to recent developments in RNA delivery systems. To exploit RNAi for cancer treatment, it is desirable to increase its selectivity, e.g., by a prodrug approach to activate the siRNAs upon external triggering, e.g., by using light. Red light is especially well suited for in vivo applications due to its low toxicity and higher tissue penetration. Known molecular (not nanoparticle-based) red-light-activatable siRNA prodrugs rely on singlet oxygen ...
Source: Molecules - May 20, 2023 Category: Chemistry Authors: Jennifer R ühle Insa Klemt Andriy Mokhir Tags: Article Source Type: research

Molecules, Vol. 22, Pages 139: Oligonucleotide Therapy for Obstructive and Restrictive Respiratory Diseases
Inhaled oligonucleotide is an emerging therapeutic modality for various common respiratory diseases, including obstructive airway diseases like asthma and chronic obstructive pulmonary disease (COPD) and restrictive airway diseases like idiopathic pulmonary fibrosis (IPF). The advantage of direct accessibility for oligonucleotide molecules to the lung target sites, bypassing systemic administration, makes this therapeutic approach promising with minimized potential systemic side effects. Asthma, COPD, and IPF are common chronic respiratory diseases, characterized by persistent airway inflammation and dysregulated tissue re...
Source: Molecules - January 16, 2017 Category: Chemistry Authors: Wupeng Liao Jinrui Dong Hong Peh Lay Tan Kah Lim Li Li Wai-Shiu Wong Tags: Review Source Type: research

Molecules, Vol. 22, Pages 969: Docosahexaenoic Acid Induces Expression of Heme Oxygenase-1 and NAD(P)H:quinone Oxidoreductase through Activation of Nrf2 in Human Mammary Epithelial Cells
In conclusion, DHA activates Nrf2, possibly through modification of critical Keap1 cysteine 288 residue and PKCδ-mediated phosphorylation of Nrf2, leading to upregulation of HO-1 and NQO1 expression.
Source: Molecules - June 10, 2017 Category: Chemistry Authors: Hye-Yoon Bang Sin-Aye Park Soma Saeidi Hye-Kyung Na Young-Joon Surh Tags: Article Source Type: research

Molecules, Vol. 22, Pages 1285: Fisetin Induces Apoptosis Through p53-Mediated Up-Regulation of DR5 Expression in Human Renal Carcinoma Caki Cells
Kwon Fisetin is a natural compound found in fruits and vegetables such as strawberries, apples, cucumbers, and onions. Since fisetin can elicit anti-cancer effects, including anti-proliferation and anti-migration, we investigated whether fisetin induced apoptosis in human renal carcinoma (Caki) cells. Fisetin markedly induced sub-G1 population and cleavage of poly (ADP-ribose) polymerase (PARP), which is a marker of apoptosis, and increased caspase activation. We found that pan-caspase inhibitor (z-VAD-fmk) inhibited fisetin-induced apoptosis. In addition, fisetin induced death receptor 5 (DR5) expression at the trans...
Source: Molecules - August 2, 2017 Category: Chemistry Authors: Kyoung-jin Min Ju-Ock Nam Taeg Kwon Tags: Article Source Type: research

Molecules, Vol. 22, Pages 1754: Emodin Inhibition of Influenza A Virus Replication and Influenza Viral Pneumonia via the Nrf2, TLR4, p38/JNK and NF-kappaB Pathways
In conclusion, emodin can inhibit IAV replication and influenza viral pneumonia, at least in part, by activating Nrf2 signaling and inhibiting IAV-induced activations of the TLR4, p38/JNK MAPK and NF-κB pathways.
Source: Molecules - October 18, 2017 Category: Chemistry Authors: Jian-Ping Dai Qian-Wen Wang Yun Su Li-Ming Gu Ying Zhao Xiao-Xua Chen Cheng Chen Wei-Zhong Li Ge-Fei Wang Kang-Sheng Li Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1085: Liposomes as Gene Delivery Vectors for Human Placental Cells
In this study, we evaluated the potential of liposomes as carriers for small interfering RNAs to placental cells. Three neutral formulations carrying rhodamine-labelled siRNAs were evaluated on an in vitro model, i.e., human primary villous cytotrophoblasts. siRNA internalization rate from lipoplexes were compared to the one in the presence of the lipofectamine reagent and assessed by confocal microscopy. Results showed cellular internalization of nucleic acid with all three formulations, based on two cationic lipids, either DMAPAP or CSL-3. Moreover, incubation with DMAPAP+AA provided a rate of labelled cells as high as w...
Source: Molecules - May 4, 2018 Category: Chemistry Authors: Lucie Valero Khair Alhareth Jenifer Espinoza Romero Warren Viricel Jeanne Leblond Audrey Chissey H élène Dhotel Caroline Roques Danielle Campiol Arruda Virginie Escriou Nathalie Mignet Thierry Fournier Karine Andrieux Tags: Communication Source Type: research