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Total posts by Marvin Sketch: 26

publication · 3 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 · 3 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 · 3 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 · 5 days 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))
presentation · 1 week ago
Leveraging ChemAxon’s technology for future product developments
by Rosalind Sankey (ChemAxon, Elsevier)
publication · 1 week ago
Low-molecular-mass nitrophenol-based compounds suitable for the effective tracking of pH gradient in isoelectric focusing
by Filip Dusa, Dana Moravcova, Karel Slais (Czech Academy of Sciences)
presentation · 1 month ago
ChemAxon and Certara Use Case
by Nina Hofle (ChemAxon, Certara)
publication · 2 months ago
Analysis of the Ligand Efficiency of 4-Thiazolidinone Derivatives with Antitumor Activity
by Patricia Santos Barbosa, Jose Gildo De Lima (Federal University of Pernambuco)
publication · 2 months ago
Vacuum-assisted evaporative concentration combined with LC-HRMS/MS for ultra-trace-level screening of organic micropollutants in environmental water samples
by Philipp Longree, Jonas Mechelke (Eawag, ETH Zurich)
publication · 2 months ago
EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals
by Diana Montes-Grajales, Jesus Olivero-Verbel (University of Cartagena)
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)
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
Antibacterial Evaluation and Virtual Screening of New Thiazolyl-Triazole Schiff Bases as Potential DNA-Gyrase Inhibitors
by Cristina Nastasa, Radu Tamaian, Ovidiu Oniga, Brindus Tiperciuc, Dan C. Vodnar, Ioana Ionut, Anca Stana, Daniela Benedec (Iuliu Hatieganu University of Medicine and Pharmacy, SC Biotech Corp SRL, University of Agricultural Sciences and Veterinary Medicine of Cluj-Napoca, National Institute for Research and Development for Cryogenic and Isotopic Technologies)
publication · 5 months ago
5-Arylidene(chromenyl-methylene)-thiazolidinediones: Potential New Agents against Mutant Oncoproteins K-Ras, N-Ras and B-Raf in Colorectal Cancer and Melanoma
by Cristina Nastasa, Radu Tamaian, Ovidiu Oniga, Brindus Tiperciuc (Iuliu Hatieganu University of Medicine and Pharmacy, National Research and Development Institute for Cryogenics and Isotopic Technologies, SC Biotech Corp SRL)
publication · 5 months ago
Rapid membrane permeabilization of Listeria monocytogenes and Escherichia coli induced by antibacterial prenylated phenolic compounds from legumes
by Carla Araya-Cloutier, Harry Gruppen, Jean-Paul Vincken, Roan van Ederen, Heidy M.W. den Besten (Wageningen University)
publication · 6 months ago
Outlining migrainous through dihydroergotamine–serotonin receptor interactions using quantum biochemistry
by Jose X. Lima Neto, Vanessa P. Soares-Rachetti, Eudenilson L. Albuquerque, Vinicius Manzoni, Umberto L. Fulco (Federal University of Rio Grande do Norte (UFRN))
publication · 6 months ago
Design and Synthesis of Small Molecule Agonists of EphA2 Receptor
by Aaron Petty, Nethrie Idippily, Viharika Bobba, Werner J. Geldenhuysc, Bo Zhong, Bin Sub, Bingcheng Wang (Case Western Reserve University School of Medicine, Cleveland State University, West Virginia University)
publication · 6 months ago
Antibacterial prenylated stilbenoids from peanut (Arachis hypogaea)
by Wouter J.C. de Bruijn, Carla Araya-Cloutier, Judith Bijlsma, Anne de Swart, Mark G. Sanders, Pieter de Waard, Harry Gruppen, Jean-Paul Vincken (Wageningen University)
publication · 6 months ago
Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
by Aymeric Dolbois, Laurent Batiste, Lars Wiedmer, Jing Dong, Manuela Brutsch, Danzhi Huang, Nicholas M. Deerain, Ivan Cheng Sanchez, Cristina Nevado, Pawel Sledz, Amedeo Caflisch (University of Zurich)
publication · 6 months ago
Vacuum-assisted evaporative concentration combined with LC-HRMS/MS for ultra-trace-level screening of organic micropollutants in environmental water samples
by Philipp Longree, Juliane Hollender, Heinz Singer, Jonas Mechelke (Eawag, Swiss Federal Institute of Aquatic Science and Technology, ETH Zurich)
publication · 6 months ago
Revealing the Conformational Preferences of Proteinogenic Glutamic Acid Derivatives in Solution by 1 H NMR Spectroscopy and Theoretical Calculations
by Weslley G. D. P. Silva, Claudio F. Tormena, Roberto Rittner (University of Campinas, University of Manitoba)
publication · 6 months ago
Acemetacin–phosphatidylcholine interactions are determined by the drug ionization state
by Catarina Pereira-Leite, Claudia Nunes, Debora Grahl, Jose C. Bozelli Jr., Shirley Schreier, Christina S. Kamma-Lorger, Iolanda M. Cuccovia, Salette Reis (University of Porto, University of Sao Paulo, McMaster University)
publication · 6 months ago
Combined Ligand and Fragment-based Drug Design of Selective Histone Deacetylase – 6 Inhibitors
by Danica Agbaba, Katarina Nikolic, Dusan Ruzic, Milos Petkovic, A. Ganesan (University of Belgrade, University of East Anglia)
publication · 6 months ago
Transport of N‐Nitrosamines through a Reverse Osmosis Membrane: Role of Molecular Size & Nitrogen Atoms
by Takahiro Fujioka, Hitoshi Kodamatani, Long D. Nghiem, Takuji Shintani (Nagasaki University, Kagoshima University, University of Technology Ultimo, Kobe University)
publication · 1 year ago
Synthesis, Docking Simulation, Biological Evaluations and 3D-QSAR Study of 1,4-Dihydropyridines as Calcium Channel Blockers
by Tarek Fathy El-Moselhy, Peter Ayoub Sidhom, Eman Ahmed Esmat, Nageh Ahmed El-Mahdyb (Tanta University)
presentation · 1 year ago
ChemAxon's technology supporting Reaxys and Reaxys Medicinal Chemistry (RMC) production, searching and visualization workflows
by Ralph Hossel (ChemAxon, Elsevier)