ChemMedChem

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Conjugated Polymers with Aggregation‐Induced Emission Characteristics for Fluorescence Imaging and Photodynamic Therapy
ChemMedChem - Tập 16 Số 15 - Trang 2330-2338 - 2021
Lirong Wang, Rong Hu, Anjun Qin, Ben Zhong Tang
AbstractAccurate diagnosis and treatment have been extensively developed in the field of biomedicine, which put forward higher requirements for the development of biomedical materials with high efficiency and selectivity. Among them, conjugated polymers featuring aggregation‐induced emission (AIE) characteristics (AIE conjugated polymers) have stood out in recent y...... hiện toàn bộ
Prodrug Strategies in Anticancer Chemotherapy
ChemMedChem - Tập 3 Số 1 - Trang 20-53 - 2008
Felix Kratz, Ivonne A. Müller, Claudia Ryppa, André Warnecke
AbstractThe majority of clinically approved anticancer drugs are characterized by a narrow therapeutic window that results mainly from a high systemic toxicity of the drugs in combination with an evident lack of tumor selectivity. Besides the development of suitable galenic formulations such as liposomes or micelles, several promising prodrug approaches have been f...... hiện toàn bộ
Modelling Inhalational Anaesthetics Using Bayesian Feature Selection and QSAR Modelling Methods
ChemMedChem - Tập 5 Số 8 - Trang 1318-1323 - 2010
David T. Manallack, Frank R. Burden, David A. Winkler
AbstractThe development of robust and predictive QSAR models is highly dependent on the use of molecular descriptors that contain information relevant to the property being modelled. Selection of these relevant features from a large pool of possibilities is difficult to achieve effectively. Modern Bayesian methods provide substantial advantages over co...... hiện toàn bộ
Recent Advances in the Development of Indazole‐based Anticancer Agents
ChemMedChem - Tập 13 Số 15 - Trang 1490-1507 - 2018
Jinyun Dong, Qijing Zhang, Zengtao Wang, G. Huang, Shaoshun Li
AbstractCancer is one of the leading causes of human mortality globally; therefore, intensive efforts have been made to seek new active drugs with improved anticancer efficacy. Indazole‐containing derivatives are endowed with a broad range of biological properties, including anti‐inflammatory, antimicrobial, anti‐HIV, antihypertensive, and anticancer activities. In...... hiện toàn bộ
Aromatic Core Extension in the Series of N‐Cyclic Bay‐Substituted Perylene G‐Quadruplex Ligands: Increased Telomere Damage, Antitumor Activity, and Strong Selectivity for Neoplastic over Healthy Cells
ChemMedChem - Tập 7 Số 12 - Trang 2144-2154 - 2012
Marco Franceschin, Angela Rizzo, Valentina Casagrande, Erica Salvati, Antonello Alvino, Alessandro Altieri, A Ciammaichella, Sara Iachettini, Carlo Leonetti, Giancarlo Ortaggi, Manuela Porru, Armandodoriano Bianco, Annamaria Biroccio
AbstractBased on previous work on both perylene and coronene derivatives as G‐quadruplex binders, a novel chimeric compound was designed: N,N′‐bis[2‐(1‐piperidino)‐ethyl]‐1‐(1‐piperidinyl)‐6‐[2‐(1‐piperidino)‐ethyl]‐benzo[ghi]perylene‐3,4:9,10‐tetracarboxylic diimide (EMICORON), having one piperidinyl group boun...... hiện toàn bộ
In Silico Solid State Perturbation for Solubility Improvement
ChemMedChem - Tập 9 Số 4 - Trang 724-726 - 2014
Lars‐Erik Briggner, Lars Kloo, Jan Rosdahl, Per H. Svensson
AbstractSolubility is a frequently recurring issue within pharmaceutical industry, and new methods to proactively resolve this are of fundamental importance. Here, a novel methodology is reported for intrinsic solubility improvement, using in silico prediction of crystal structures, by perturbing key interactions in the crystalline solid state. The methodology was ...... hiện toàn bộ
Isoxazolines: A Novel Chemotype Highly Effective on Ectoparasites
ChemMedChem - Tập 11 Số 3 - Trang 270-276 - 2016
Tina Weber, Paul M. Selzer
AbstractEfficient control of arthropod ectoparasite infestations has a long‐standing history in the agriculture and veterinary sectors, aiming to decrease the parasite burden of affected crops and animals. Ligand‐gated chloride channels (LGCCs) modulated by γ‐aminobutyric acid (GABA) and glutamate have been identified as suitable molecular targets, and several clas...... hiện toàn bộ
Transthyretin Mimetics as Anti‐β‐Amyloid Agents: A Comparison of Peptide and Protein Approaches
ChemMedChem - Tập 13 Số 9 - Trang 968-979 - 2018
Kayla M. Pate, Brandon J. Kim, Eric V. Shusta, Regina M. Murphy
Abstractβ‐Amyloid (Aβ) aggregation is causally linked to neuronal pathology in Alzheimer's disease; therefore, several small molecules, antibodies, and peptides have been tested as anti‐Aβ agents. We developed two compounds based on the Aβ‐binding domain of transthyretin (TTR): a cyclic peptide cG8 and an engineered protein mTTR, and compared them for therapeutical...... hiện toàn bộ
SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping
ChemMedChem - Tập 4 Số 3 - Trang 427-439 - 2009
Fabien Fontaine, Simon Cross, Guillem Plasencia, Manuel Pastor, Ismael Zamora
AbstractWe present a method for fragment/scaffold substitution based on protein–ligand interactions. This concept goes beyond bioisosteric replacement, which only uses the structure of the fragment to replace as query. The methodology is validated with more than 10 biological targets relevant for drug discovery. hiện toàn bộ
Mixed‐Model QSAR at the Glucocorticoid Receptor: Predicting the Binding Mode and Affinity of Psychotropic Drugs
ChemMedChem - Tập 4 Số 1 - Trang 100-109 - 2009
Morena Spreafico, Beat Ernst, Markus A. Lill, Martin Smieško, Angelo Vedani
AbstractThe glucocorticoid receptor (GR) is a member of the nuclear receptor superfamily that affects immune response, development, and metabolism in target tissues. Glucocorticoids are widely used to treat diverse pathophysiological conditions, but their clinical applicability is limited by side effects. A prediction of the binding affinity toward the GR would be ...... hiện toàn bộ
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