Filtered By:
Source: Molecules

This page shows you your search results in order of relevance. This is page number 4.

Order by Relevance | Date

Total 1090 results found since Jan 2013.

Molecules, Vol. 23, Pages 1840: Search of Neuroprotective Polyphenols Using the “Overlay” Isolation Method
Takaaki Oizumi Previous studies of the neuroprotective activity of polyphenols have used ununiform culture systems, making it difficult to compare their neuroprotective potency. We have established a new and simple method for preparing differentiated PC12 cells by removing the toxic coating step. Cells were induced to differentiate with the nerve growth factor (NGF) in a serum-free medium, without a medium change, but with a one-time overlay supplementation of NGF. The optimal inoculation density of the cells was 6–12 × 103 cells/cm2, and the presence of serum inhibited the differentiation....
Source: Molecules - July 24, 2018 Category: Chemistry Authors: Hiroshi Sakagami Haixia Shi Kenjiro Bandow Mineko Tomomura Akito Tomomura Misaki Horiuchi Tomohiro Fujisawa Takaaki Oizumi Tags: Article Source Type: research

Molecules, Vol. 24, Pages 446: Novel Approach for the Search for Chemical Scaffolds with Dual Activity with Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptor—A Perspective for the Treatment of Neurodegenerative Disorders
homas Balle Neurodegenerative disorders, including Alzheimer’s disease, belong to the group of the most difficult and challenging conditions with very limited treatment options. Attempts to find new drugs in most cases fail at the clinical stage. New tactics to develop better drug candidates to manage these diseases are urgently needed. It is evident that better understanding of the neurodegeneration process is required and targeting multiple receptors may be essential. Herein, we present a novel approach, searching for dual active compounds interacting with acetylcholinesterase (AChE) and the &al...
Source: Molecules - January 27, 2019 Category: Chemistry Authors: Natalia M. Kowal Dinesh C. Indurthi Philip K. Ahring Mary Chebib Elin S. Olafsdottir Thomas Balle Tags: Article Source Type: research

Molecules, Vol. 24, Pages 1600: Search for New Aggregable Fragments of Human Insulin
In this study, three independent methods were used to identify short fragment of both chains of human insulin which are prone for aggregation. In addition, circular dichroism (CD) research was conducted to understand the progress of aggregation over time. The insulin fragments (deca- and pepta-peptides) were obtained by solid-phase synthesis using 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium toluene-4-sulfonate (DMT/NMM/TosO-) as a coupling reagent. Systematic studies allowed identification of the new fragments, expected to be engaged in triggering aggregation of the entire structure of human insulin under phy...
Source: Molecules - April 22, 2019 Category: Chemistry Authors: Monika Swiontek Justyna Fraczyk Joanna Wasko Agata Chaberska Lukasz Pietrzak Zbigniew J. Kaminski Lukasz Szymanski Slawomir Wiak Beata Kolesinska Tags: Article Source Type: research

Molecules, Vol. 25, Pages 116: Trimethoprim: An Old Antibacterial Drug as a Template to Search for New Targets. Synthesis, Biological Activity and Molecular Modeling Study of Novel Trimethoprim Analogs
In conclusion, some of our new analogs inhibited DHFR activity more strongly than TMP did, which confirms, that the addition of amide bonds into the analogs of TMP increases their affinity towards DHFR.
Source: Molecules - December 26, 2019 Category: Chemistry Authors: Agnieszka Wr óbel Dawid Maliszewski Maciej Baradyn Danuta Drozdowska Tags: Article Source Type: research

Molecules, Vol. 25, Pages 1766: In Search of Outliers. Mining for Protein Kinase Inhibitors Based on Their Anti-Proliferative NCI-60 Cell Lines Profile
scu Protein kinases play a pivotal role in signal transduction, protein synthesis, cell growth and proliferation. Their deregulation represents the basis of pathogenesis for numerous diseases such as cancer and pathologies with cardiovascular, nervous and inflammatory components. Protein kinases are an important target in the pharmaceutical industry, with 48 protein kinase inhibitors (PKI) already approved on the market as treatments for different afflictions including several types of cancer. The present work focuses on facilitating the identification of new PKIs with antitumoral potential through the use of data-mini...
Source: Molecules - April 10, 2020 Category: Chemistry Authors: George Nicolae Daniel Ion George Mihai Nitulescu Tags: Article Source Type: research

Molecules, Vol. 25, Pages 2258: Search for ABCB1 Modulators Among 2-Amine-5-arylideneimidazolones As a New Perspective to Overcome Cancer Multidrug Resistance
a Handzlik Multidrug resistance (MDR) is a severe problem in the treatment of cancer with overexpression of glycoprotein P (Pgp, ABCB1) as a reason for chemotherapy failure. A series of 14 novel 5-arylideneimidazolone derivatives containing the morpholine moiety, with respect to two different topologies (groups A and B), were designed and obtained in a three- or four-step synthesis, involving the Dimroth rearrangement. The new compounds were tested for their inhibition of the ABCB1 efflux pump in both sensitive (parental (PAR)) and ABCB1-overexpressing (MDR) T-lymphoma cancer cells in a rhodamine 123 accumulation assay...
Source: Molecules - May 10, 2020 Category: Chemistry Authors: Aneta Kaczor M árta Nové Annam ária Kincses Gabriella Spengler Ewa Szyma ńska Gniewomir Latacz Jadwiga Handzlik Tags: Article Source Type: research

Molecules, Vol. 25, Pages 3870: Biased versus Partial Agonism in the Search for Safer Opioid Analgesics
lamo Calò Opioids such as morphine—acting at the mu opioid receptor—are the mainstay for treatment of moderate to severe pain and have good efficacy in these indications. However, these drugs produce a plethora of unwanted adverse effects including respiratory depression, constipation, immune suppression and with prolonged treatment, tolerance, dependence and abuse liability. Studies in β-arrestin 2 gene knockout (βarr2(−/−)) animals indicate that morphine analgesia is potentiated while side effects are reduced, suggesting that drugs bia...
Source: Molecules - August 24, 2020 Category: Chemistry Authors: Joaquim Azevedo Neto Anna Costanzini Roberto De Giorgio David G. Lambert Chiara Ruzza Girolamo Cal ò Tags: Review Source Type: research

Molecules, Vol. 25, Pages 5075: Repurposing Auranofin and Evaluation of a New Gold(I) Compound for the Search of Treatment of Human and Cattle Parasitic Diseases: From Protozoa to Helminth Infections
lisabeth Davioud-Charvet Neglected parasitic diseases remain a major public health issue worldwide, especially in tropical and subtropical areas. Human parasite diversity is very large, ranging from protozoa to worms. In most cases, more effective and new drugs are urgently needed. Previous studies indicated that the gold(I) drug auranofin (Ridaura®) is effective against several parasites. Among new gold(I) complexes, the phosphole-containing gold(I) complex {1-phenyl-2,5-di(2-pyridyl)phosphole}AuCl (abbreviated as GoPI) is an irreversible inhibitor of both purified human glutathione and thioredoxin reducta...
Source: Molecules - November 1, 2020 Category: Chemistry Authors: Liwen Feng S ébastien Pomel Perle Latre de Late Alexandre Taravaud Philippe M. Loiseau Louis Maes Fidelis Cho-Ngwa Christina A. Bulman Chelsea Fischer Judy A. Sakanari Peter D. Ziniel David L. Williams Elisabeth Davioud-Charvet Tags: Article Source Type: research

Molecules, Vol. 26, Pages 330: In Search for Multi-Target Ligands as Potential Agents for Diabetes Mellitus and Its Complications —A Structure-Activity Relationship Study on Inhibitors of Aldose Reductase and Protein Tyrosine Phosphatase 1B
Molecules, Vol. 26, Pages 330: In Search for Multi-Target Ligands as Potential Agents for Diabetes Mellitus and Its Complications—A Structure-Activity Relationship Study on Inhibitors of Aldose Reductase and Protein Tyrosine Phosphatase 1B Molecules doi: 10.3390/molecules26020330 Authors: Rosaria Ottanà Paolo Paoli Mario Cappiello Trung Ngoc Nguyen Ilenia Adornato Antonella Del Corso Massimo Genovese Ilaria Nesi Roberta Moschini Alexandra Naß Gerhard Wolber Rosanna Maccari Diabetes mellitus (DM) is a complex disease which currently affects more than 460 million people and is one of the lea...
Source: Molecules - January 10, 2021 Category: Chemistry Authors: Rosaria Ottan à Paolo Paoli Mario Cappiello Trung Ngoc Nguyen Ilenia Adornato Antonella Del Corso Massimo Genovese Ilaria Nesi Roberta Moschini Alexandra Na ß Gerhard Wolber Rosanna Maccari Tags: Article Source Type: research

Molecules, Vol. 26, Pages 1100: In Silico Screening of the DrugBank Database to Search for Possible Drugs against SARS-CoV-2
ez Coronavirus desease 2019 (COVID-19) is responsible for more than 1.80 M deaths worldwide. A Quantitative Structure-Activity Relationships (QSAR) model is developed based on experimental pIC50 values reported for a structurally diverse dataset. A robust model with only five descriptors is found, with values of R2 = 0.897, Q2LOO = 0.854, and Q2ext = 0.876 and complying with all the parameters established in the validation Tropsha’s test. The analysis of the applicability domain (AD) reveals coverage of about 90% for the external test set. Docking and molecular dynamic analysis are performed on the three most relevan...
Source: Molecules - February 19, 2021 Category: Chemistry Authors: Sebasti án A. Cuesta Jos é R. Mora Edgar A. M árquez Tags: Article Source Type: research

Molecules, Vol. 26, Pages 1549: Receptor-Based Pharmacophore Modeling in the Search for Natural Products for Covid-19 Mpro
reshidi Considering the urgency of the COVID-19 pandemic, we developed a receptor-based pharmacophore model for identifying FDA-approved drugs and hits from natural products. The COVID-19 main protease (Mpro) was selected for the development of the pharmacophore model. The model consisted of a hydrogen bond acceptor, donor, and hydrophobic features. These features demonstrated good corroboration with a previously reported model that was used to validate the present model, showing an RMSD value of 0.32. The virtual screening was carried out using the ZINC database. A set of 208,000 hits was extracted and filtered using ...
Source: Molecules - March 11, 2021 Category: Chemistry Authors: Mohd Saeed Amir Saeed Md. Jahoor Alam Mousa Alreshidi Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2214: Molecular Dynamic Simulation Search for Possible Amphiphilic Drug Discovery for Covid-19
Lin Seow To determine whether quaternary ammonium (k21) binds to Severe Acute Respiratory Syndrome–Coronavirus 2 (SARS-CoV-2) spike protein via computational molecular docking simulations, the crystal structure of the SARS-CoV-2 spike receptor-binding domain complexed with ACE-2 (PDB ID: 6LZG) was downloaded from RCSB PD and prepared using Schrodinger 2019-4. The entry of SARS-CoV-2 inside humans is through lung tissues with a pH of 7.38–7.42. A two-dimensional structure of k-21 was drawn using the 2D-sketcher of Maestro 12.2 and trimmed of C18 alkyl chains from all four arms with the assumption that the core moie...
Source: Molecules - April 12, 2021 Category: Chemistry Authors: Umer Daood Divya Gopinath Malikarjuna Rao Pichika Kit-Kay Mak Liang Lin Seow Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2240: In Search of the Driving Factor for the Microwave Curing of Epoxy Adhesives and for the Protection of the Base Substrate against Thermal Damage
This study used controlled microwaves to elucidate the response of adhesive components to microwaves and examined the advantages of microwave radiation in curing epoxy adhesives. Curing of adhesives with microwaves proceeded very rapidly, even though each component of the adhesive was not efficiently heated by the microwaves. The reason the adhesive cured rapidly is that microwave heating was enhanced by the electrically charged (ionic) intermediates produced by the curing reaction. In contrast, the cured adhesive displayed lower microwave absorption and lower heating efficiency, suggesting that the cured adhesive stopped ...
Source: Molecules - April 13, 2021 Category: Chemistry Authors: Satoshi Horikoshi Yuhei Arai Nick Serpone Tags: Article Source Type: research

Molecules, Vol. 26, Pages 3288: In Search of Factors Determining Activity of Co3O4 Nanoparticles Dispersed in Partially Exfoliated Montmorillonite Structure
owski The paper discusses a formation of Mt–PAA composite containing a natural montmorillonite structure partially exfoliated by poly(acrylic acid) introduced through intercalation polymerization of acrylic acid. Mt–PAA was subsequently modified by controlled adsorption of Co2+ ions. The presence of aluminosilicate packets (clay) and carboxyl groups (hydrogel) led to the deposition of significant amounts of Co2+ ions, which after calcination formed the Co3O4 spinel particles. The conditions of the Co2+ ions’ deposition (pH, volume and concentration of Co(NO3)2 solution, as well as a type of pH-controlling agent) ...
Source: Molecules - May 29, 2021 Category: Chemistry Authors: Anna Rokici ńska Tomasz Berniak Marek Drozdek Piotr Ku śtrowski Tags: Article Source Type: research

Molecules, Vol. 26, Pages 3817: Search for Non-Protein Protease Inhibitors Constituted with an Indole and Acetylene Core
-Alonso A possible inhibitor of proteases, which contains an indole core and an aromatic polar acetylene, was designed and synthesized. This indole derivative has a molecular architecture kindred to biologically relevant species and was obtained through five synthetic steps with an overall yield of 37% from the 2,2′-(phenylazanediyl)di(ethan-1-ol). The indole derivative was evaluated through docking assays using the main protease (SARS-CoV-2-Mpro) as a molecular target, which plays a key role in the replication process of this virus. Additionally, the indole derivative was evaluated as an inhibitor of the enzyme kall...
Source: Molecules - June 23, 2021 Category: Chemistry Authors: Marco A. Almaraz-Gir ón Ernesto Calder ón-Jaimes Adri án Sánchez Carrillo Erik D íaz-Cervantes Edith Casta ñón Alonso Alejandro Islas-J ácome Armando Dom ínguez-Ortiz Sandra L. Casta ñón-Alonso Tags: Article Source Type: research