ChemAxon - Software Solutions and Services for Chemistry & Biology

Total posts by Marvin: 211

publication · 23 hours ago

Salt-assisted pyrolysis of covalent organic frameworks to porous heteroatom-doped carbons for supercapacitive energy storage

by Dongwan Yan, Yang Wu, Ryo Kitaura, Kunio Awaga (Nagoya University)

publication · 23 hours ago

Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers

by Ricardo J Ferreira, Daniel J. V. A. dos Santos, Annamaria Kincses, Mario ́Gajdacs, Gabriella Spengler, Joseph Molnar, ́ Maria-Jose. Ferreira (University of Lisbon, University of Porto, University of Szeged)

publication · 4 days ago

Optimization of Physicochemical Properties for 4‐Anilinoquinoline Inhibitors of Plasmodium falciparum Proliferation

by Naimee Mehta, Lori Ferrins, Susan E. Leed, Richard J. Sciotti, Michael P. Pollastri (Northeastern University, Walter Reed Army Institute for Research)

publication · 4 days ago

Cellular Uptake of the Atypical Antipsychotic Clozapine Is a Carrier- Mediated Process

by Anne T. Nies, Elke Schaeffeler, Matthias Schwab, David Dickens, Steffen Radisch, George N. Chiduza, Athina Giannoudis, Michael J. Cross, Hassan Malik, Rowena L. Sison-Young, Emma L. Wilkinson, Christopher E. Goldring, Munir Pirmohamed (University of Liverpool, University Tübingen, University Hospital Tübingen, Dr. Margarete Fischer-Bosch Institute of Clinical Pharmacology)

publication · 4 days ago

Combined Ligand- and Receptor-Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors

by Aleix Gimeno, Andrea Ardid‐Ruiz, Maria Jose Ojeda‐Montes, Sarah Tomás‐Hernandez, Adria Cereto‐Massague, Raul Beltran‐Debon, Miquel Mulero, Cristina Valls, Gerard Aragones, Manuel Suarez, Gerard Pujadas, Santiago Garcia‐Vallve (Rovira i Virgili University)

publication · 4 days ago

Synthesis, structural, spectroscopic and DFT study on a palladium(II)- N-heterocyclic carbene complex

by Rukiye Firinci, M. Emin Gunay, Namık Ozdemir, Muharrem Dincer (Adnan Menderes University, Ondokuz Mayıs University)

publication · 5 days ago

Pharmacophore-based screening and drug repurposing exemplified on glycogen synthase kinase-3 inhibitors

by Sorin Avram, Luminita Crisan, Liliana Pacureanu (Institute of Chemistry of the Romanian Academy Timisoara)

publication · 5 days ago

Combined molecular docking and QSAR study of fused heterocyclic herbicide inhibitors of D1 protein in photosystem II of plants

by Simona Funar-Timofei, Ana Borota, Luminita Crisan (Institute of Chemistry of the Romanian Academy Timisoara)

publication · 5 days ago

Removal of amoxicillin from simulated hospital effluents by adsorption using activated carbons prepared from capsules of cashew of Para

by Eder C.Lima, Silvio L.P.Dias, Cibele S. Umpierres, Diana Ramos Lima, Pascal Silas Thue, Ghadir A. El-Chaghaby, Raphaelle Sanches da Silva, Flavio A. Pavan, Camille Biron (Federal University of Rio Grande do Sul (UFRGS), Federal University of Pampa, RCFF-Agricultural Research Center)

publication · 1 week ago

Microwave-activated carbons from tucuma (Astrocaryum aculeatum) seed for efficient removal of 2-nitrophenol from aqueous solutions

by Pascal S.Thue, Eder C.Lima, Silvio L.P.Dias, Cibele S. Umpierres, Glaydson S. dos Reis, Irineu A. S. de Brum, Wagner S. de Alencar, Guilherme L. Dotto (Federal University of Rio Grande do Sul (UFRGS), Federal University of Santa Maria (UFSM), Federal University of South and Southeast of Para (UNIFESSPA))

publication · 1 week ago

Synthesis and in silico evaluation of 1N-methyl-1S-methyl-2- nitroethylene (NMSM) derivatives against Alzheimer disease: to understand their interacting mechanism with acetylcholinesterase

by M. Kannan, P. Manivel, K. Geetha, J. Muthukumaran, H. Surya Prakash Rao, R. Krishna (Pondicherry University)

presentation · 1 week ago

Leveraging ChemAxon’s technology for future product developments

by Rosalind Sankey (ChemAxon, Elsevier)

presentation · 1 week ago

RInCHI Use Case

by István Őri, Gerd Blanke (ChemAxon, StructurePendium)

publication · 1 week ago

Synthesis, Pharmacology, and Molecular Docking Studies on 6-Desoxo-N-methylmorphinans as Potent Opioid Receptor Agonists

by Maria Dumitrascuta, Tanila Ben Haddou, Elena Guerrieri, Stefan M. Noha, Lea Schlafer, Helmut Schmidhammer, Mariana Spetea (University of Innsbruck)

presentation · 1 month ago

Enrichment of Analytical Data by Adding Chemical Information

by Patrick Boba (BSSN Software)

presentation · 1 month ago

Marvin: Chemical Drawing with ChemAxon's Tools

by Eufrozina Hoffmann (ChemAxon)

presentation · 1 month ago

ChemAxon and SciBite Use Case

by Neal Dunkinson (SciBite)

presentation · 1 month ago

ChemAxon and ONTOFORCE Use Case

by Peter Verrykt (ONTOFORCE)

presentation · 1 month ago

ChemAxon and Mestrelab Use Case

by Guy Desmarquets (Mestrelab Research)

presentation · 1 month ago

IDBS and ChemAxon Use Case

by Ian Peirson (IDBS)

presentation · 1 month ago

ChemAxon and Enamine Use Case

by Andrii Buvailo (Enamine)

presentation · 1 month ago

ChemAxon and Chemantics Use Case

by Matthias Nolte (ChemAxon, Chemantics)

presentation · 1 month ago

ChemAxon and Certara Use Case

by Nina Hofle (ChemAxon, Certara)

presentation · 1 month ago

Egis 5 years with ChemAxon

by András Dancsó (ChemAxon, Egis Pharmaceuticals)

presentation · 1 month ago

Certara and ChemAxon Use Case

by Aaron Hohos (Certara)

publication · 2 months ago

Sensitive Analysis of Sialic Acid and Related Compound by Hydrophilic Interaction Liquid Chromatography Using Fluorescence Detection after Derivatization with DBD-PZ

by Akane Kawaski, Makoto Yasuda, Ken-ichi Mawatari, Tomoko Fukuuchi, Noriko Yamaoka, Kiyoko Kaneko, Ryosuke Iijimo, Satoru Yui, Motonobu Satoh, Kazuya Nakagomi (Teikyo University)

publication · 2 months ago

EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals

by Diana Montes-Grajales, Jesus Olivero-Verbel (University of Cartagena)

presentation · 2 months ago

ChemAxon Portfolio

by Dávid Malatinszky (ChemAxon)

publication · 2 months ago

Exploring Modifications of an HIV-1 Capsid Inhibitor: Design, Synthesis, and Mechanism of Action

by Li-Zhuang Xu, Ashwanth C. Francis, Megan E. Meuser, Marie Mankowski, Roger G. Ptak, Adel A. Rashad, Gregory B. Melikyan, Simon Cocklin (Drexel University College of Medicine, Southern Research Institute, Emory University)

publication · 2 months ago

Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2 position of PEXEL peptidomimetics

by Brad E. Sleebs, Matthew T. O’Neill, Alan F. Cowman, Justin A. Boddey, Kate E. Jarman, William Nguyen, Anthony N. Hodder, Richard Bestel de Lezongard, Peter E. Czabotar, Jennifer K. Thompson, Helene Jousset Sabroux (The University of Melbourne)

presentation · 3 months ago

IDBS & ChemAxon: Our Strategic Partnership

by Ian Peirson (IDBS)

presentation · 3 months ago

A Connected ELN

by Rory Macneil (ResearchSpace)

publication · 3 months ago

A novel cluster of C5-curcuminoids: design, synthesis, in vitro antiproliferative activity and DNA binding of bis(arylidene)-4-cyclanone derivatives based on 4-hydroxycyclohexanone scaffold

by Péter Horváth, Imre Huber, István Zupkó, András Gyovai, Eszter Kiss, Gergely Gulyás‑Fekete, János Schmidt, Pál Perjési (Semmelweis University, University of Szeged, University of Pécs)

news · 3 months ago

ChemAxon European User Meeting, Budapest, May 20-22, 2019

by Wendy Warr (Wendy Warr & Associates)

Wendy Warr

publication · 3 months ago

Neo-Chlorogenic Acid: Conformational and Molecular Analysis by Semi-Empirical Methods

by Caio Henrique Alexandre Roberto, Emmanuel Silva Marinho, Othon Souto Campos (Ceara State University)

publication · 3 months ago

Functionalised bicyclic tetramates derived from cysteine as antibacterial agents

by Tharindi D. Panduwawala, Sarosh Iqbal, Amber L. Thompson, Miroslav Genov, Alexander Pretsch, Dagmar Pretsch, Shuang Liu, Richard H. Ebright, Alison Howells, Anthony Maxwell, Mark G. Moloney (University of Oxford, Norwich Research Park, The Oxford Science Park, Rutgers University)

publication · 3 months ago

A Multi-Technique Investigation of a New Macroacyclic Schiff Base Ligand and its Cd(II), Zn(II) and Cu(II) Complexes

by Reza Golbedaghi, Licinia L. G. Justino, Rui Fausto, Soraya Safarabadi, Maryam Alvandic (University of Coimbra, Payame Noor University, Hamedan University of Medical Sciences)

presentation · 4 months ago

Mastering MarvinJS - Drawing tool for Mastering Chemistry

by Jeanne Zalesky, Margaret Trombley, Charles Hall, Meaghan Fallano, Chris Hess (Pearson Education)

presentation · 4 months ago

Marvin - Chemical drawing with ChemAxon’s Tools

by Eufrozina Hoffmann (ChemAxon)

publication · 4 months ago

Structural Characterization of Agonist Binding to Protease- Activated Receptor 2 through Mutagenesis and Computational Modeling

by Jens Carlsson, Amanda J. Kennedy, Flavio Ballante, Johan R. Johansson, Graeme Milligan, Linda Sundstrom, Anneli Nordqvist (AstraZeneca, Uppsala University, University of Glasgow)

publication · 4 months ago

Conjugates of methylene blue with y-carboline derivatives as new multifunctional agents for the treatment of neurodegenerative diseases

by Rudy J. Richardson, Galina F. Makhaeva, Sofya V. Lushchekina, Natalia P. Boltneva, Vladimir B. Sokolov, Gjumrakch Aliev, Sergey O. Bachurin, Elena F. Shevtsova, Nadezhda V. Kovaleva, Elena V. Rudakova, Ludmila G. Dubova, Vladimir P. Fisenko, Daria V. Vinogradova, Alexey Yu. Aksinenko (Russian Academy of Sciences, University of Michigan, GALLY International Biomedical Research Consulting LLC, University of Atlanta)

publication · 4 months ago

A novel codrug made of the combination of ethionamide and its potentiating booster: synthesis, self-assembly into nanoparticles and antimycobacterial evaluation

by Didier Desmaële, Alexandra Pastor, Arnaud Machelart, Xue Li, Nicolas Willand, Alain Baulard, Priscille Brodin, Ruxandra Gref (Université Paris-Sud, Centre National pour la Recherche Scientifique (CNRS), Université de Lille)

publication · 4 months ago

Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood–Brain Barrier Penetration

publication · 4 months ago

Inhibition of Human Drug Transporter Activities by the Pyrethroid Pesticides Allethrin and Tetramethrin

by Lisa Chedik, Arnaud Bruyere, Marc Le Vee, Bruno Stieger, Claire Denizot, Yannick Parmentier, Sophie Potin, Olivier Fardel (Université de Rennes1, University of Zurich)

publication · 4 months ago

A phenotypic approach to the discovery of compounds that promote non-amyloidogenic processing of the amyloid precursor protein: Toward a new profile of indirect b-secretase inhibitors

by Marion Gay, Caroline Evrard, Florian Descamps, Pascal Carato, Nicolas Renault, Mathilde Coevoet, Sabiha Eddarkaoui, Catherine Baud, Paul-Emmanuel Larchanche, Luc Buee, Jamal El Bakali, Valerie Vingtdeux, Nicolas Sergeant, Patricia Melnyk (Université de Lille)

publication · 4 months ago

From Click Chemistry to Cross-Coupling: Designer Polymers from One Efficient Reaction

by David H. Howe, Riki M. McDaniel, Andrew J. D. Magenau (Drexel University)

publication · 4 months ago

Aquatic toxicity of several textile dye formulations: Acute and chronic assays with Daphnia magna and Raphidocelis subcapitata

by Emilio Benfenati, Anna Lombardo, Roberta Croce, Filippo Cina, Gregory Crispeyn, Claudia Ileana Cappelli, Matteo Vian, Simone Maiorana, Diego Baderna (IRCCS Laboratory of Environmental Chemistry and Toxicology)

publication · 4 months ago

Temperature-Dependent Estimation of Gibbs Energies Using an Updated Group-Contribution Method

by Bin Du, Zhen Zhang, Sharon Grubner, James T. Yurkovich, Bernhard O. Palsson, Daniel C. Zielinski (University of California San Diego)

publication · 4 months ago

The Tetrazole Analogue of the Auxin Indole-3-acetic Acid Binds Preferentially to TIR1 and Not AFB5

by Mussa Quareshy, Justyna Prusinska, Martin Kieffer, Kosuke Fukui, Alonso J. Pardal, Silke Lehmann, Patrick Schafer, Charo I. del Genio, Stefan Kepinski, Kenichiro Hayashi, Andrew Marsh, Richard M. Napier (University of Leeds, University of Warwick, Okayama University of Science)

publication · 4 months ago

Analysis of the Frequency and Diversity of 1,3-Dialkylimidazolium Ionic Liquids Appearing in the Literature

by Vincent F. Scalfani, Ali Al Alshaikh, Jason E. Bara (University of Alabama)

publication · 4 months ago

The impact of chloride or bromide ions on the advanced oxidation of atrazine by combined electrolysis and ozonation

by Greg L. Saylor, Margaret J. Kupferle (University of Cincinnati)

presentation · 4 months ago

ChemAxon's technology supporting Reaxys and Reaxys Medicinal Chemistry (RMC) production, searching and visualization workflows

by Derrick Umali (ChemAxon)

presentation · 4 months ago

ChemAxon Product Portfolio

by Dávid Malatinszky (ChemAxon)

publication · 4 months ago

A Structure- and Ligand-Based Virtual Screening of a Database of “Small” Marine Natural Products for the Identification of “Blue” Sigma-2 Receptor Ligands

by Giuseppe Floresta, Emanuele Amata, Carla Barbaraci, Davide Gentile, Rita Turnaturi, Agostino Marrazzo, Antonio Rescifina (University of Catania)

publication · 4 months ago

Morphing of Ibogaine: A Successful Attempt into the Search for Sigma-2 Receptor Ligands

by Giuseppe Floresta, Emanuele Amata, Davide Gentile, Agostino Marrazzo, Antonio Rescifina, Maria Dichiara, Orazio Prezzavento (University of Catania, University of Bari Aldo Moro)

publication · 4 months ago

Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic Mapping

by Hiromasa Kaneko (Meiji University)

publication · 4 months ago

Human Recombinant VEGFR2D4 Biochemical Characterization to Investigate Novel Anti VEGFR2D4 Antibodies for Allosteric Targeting of VEGFR2

by Donatella Diana, Roberto Fattorusso, Rossella Di Stasi, Lucia De Rosa, Luca D. D’Andrea (National Research Council (CNR), Biostructures and Bioimaging (IBB), University in Caserta)

poster · 5 months ago

Allosteric inhibitors targeting 5’-nucleotidases to restore the antitumor therapy efficacy

by A. Braka, R. Rahimova, S. Peyrottes, L. P. Jordheim, L. Chaloin (Centre National pour la Recherche Scientifique (CNRS), Montpellier University, University of Lyon)

publication · 5 months ago

Amphiphilic-DNA Platform for the Design of Crystalline Frameworks with Programmable Structure and Functionality

by Ryan A. Brady, Nicholas J. Brooks, Vito Fodera, Pietro Cicuta, Lorenzo Di Michele (University of Cambridge, Imperial College London)

publication · 6 months ago

Indolizine-Based Scaffolds as Efficient and Versatile Tools: Application to the Synthesis of Biotin-Tagged Antiangiogenic Drugs

by Marie Arvin-Berod, Agnes Desroches-Castan, Simon Bonte, Sabine Brugiere, Yohann Coute, ́Laurent Guyon, Jean-Jacques Feige, Isabelle Baussanne, Martine Demeunynck (Grenoble Alps University)

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