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Total posts by Marvin: 125
publication
·
7 months ago
Synthesis and Cytotoxic Activity of Self-Assembling Squalene Conjugates of 3-[(Pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one Anticancer Agents
by
Eric Buchy
,
Sabrina Valetti
,
Simona Mura
,
Julie Mougin
,
Claire Troufflard
,
Patrick Couvreur
,
Didier Desmaële
publication
·
7 months ago
Efficient biotransformation of non-steroid anti-inflammatory drugs by endophytic and epiphytic fungi from dried leaves of a medicinal plant, Plantago lanceolata L.
by
Sándor Gonda
,
AttilaKiss-Szikszai
,
Zsolt Szűcs
,
Borbála Balla
,
Gábor Vasas
(
University of Debrecen
)
publication
·
7 months ago
Poly(ethylene oxide)-based block copolymers with very high molecular weights for biomimetic calcium phosphate mineralization
by
Tobias Mai
,
Susanne Boye
,
Jiayin Yuan
,
Antje Volkel
,
Marlies Grawert
,
Christina Gunter
,
Albena Ledererb
,
Andreas Taubert
(
University of Potsdam
)
publication
·
7 months ago
Exploring 5-nitrofuran derivatives against nosocomial pathogens: Synthesis, antimicrobial activity and chemometric analysis
by
Rodrigo Rocha Zorzi
,
Salomão Dória Jorge
,
Fanny Palace-Berl
,
Kerly Fernanda Mesquita Pasqualoto
,
Leandro de Sá Bortolozzo
,
André Murillo de Castro Siqueira
,
Leoberto Costa Tavares
(
Universidade de São Paulo
)
publication
·
7 months ago
Scaffold hopping approach on the route to selective tankyrase inhibitors
by
Antonio Macchiarulo
,
Paride Liscio
,
Andrea Carotti
,
Stefania Asciutti
,
Martina Ferri
,
Maira M. Pires
,
Sara Valloscuro
,
Jacob Ziff
,
Neil R. Clark
,
Stuart A. Aaronson
,
Roberto Pellicciari
,
Emidio Camaioni
(
University of Perugia
,
Icahn School of Medicine at Mount Sinai
)
publication
·
7 months ago
Phenylpropiophenone derivatives as potential anticancer agents: Synthesis, biological evaluation and quantitative structureeactivity relationship study
by
Sote M. Vladimirov
,
Branka M. Ivkovic
,
Katarina Nikolic
,
Zeljko S. Zizak
,
Radmila B. Novakovic
,
Olivera A. Cudina
,
Bojana B. Ilic
(
University of Belgrade
,
Institute of Oncology and Radiology of Serbia
)
publication
·
7 months ago
TarPred: a web application for predicting therapeutic and side ef- fect targets of chemical compounds
by
Faten Alchab
,
Laurent Ettouati
,
Zouhair Bouaziz
,
Andre Bollacke
,
Jean-Guy Delcros
,
Christoph G.W. Gertzen
,
Holger Gohlke
,
Noel Pinaud
,
Mathieu Marchivie
,
Jean Guillon
,
Bernard Fenet
,
Joachim Jose
,
Marc Le Borgne
(
Shanghai Institute of Materia Medica
,
East China University of Science and Technology
,
University of Washington
)
publication
·
7 months ago
A new water-soluble ligand for efficient copper-catalyzed Huisgen cycloaddition of aliphatic azides and alkynes
by
Przemysław W. Szafranski
,
Patryk Kasza
,
Marek T. Cegła
(
Jagiellonian University Medical College
)
publication
·
7 months ago
Theoretical Study of Phosphoethanolamine: A Synthetic Anticancer Agent with Broad Antitumor Activity
by
Vitor Prates Lorenzo
,
Francisco Jaime Bezerra Mendonça Júnior
,
José Maria Barbosa Filho
,
Luciana Scotti
,
Marcus Tullius Scotti
(
Federal University of Paraiba
,
Federal Institute of Sertao Pernambucano
,
State University of Paraiba
)
publication
·
7 months ago
Micropollutants in European Rivers: A Mode of Action Survey to Support the Development of Effect-Based Tools for Water Monitoring
by
Martin Krauss
,
Tobias Schulze
,
Wibke Busch
,
Susanne Schmidt
,
Ralph Kuhne
,
Rolf Altenburger
(
UFZ-Helmholtz Centre for Environmental Research
)
publication
·
7 months ago
High-resolution MS and MSn investigation of ozone oxidation products from phenazone-type pharmaceuticals and metabolites
by
Maxime Favier
,
Raf Dewil
,
Kwinten Van Eyck
,
Ann Van Schepdael
,
Deirdre Cabooter
(
KU Leuven
)
publication
·
7 months ago
Binding Free Energy Calculations of Nine FDA- approved Protease Inhibitors Against HIV-1 Subtype C I36T↑T Containing 100 Amino Acids Per Monomer
by
Husain A. Lockhat
,
Jose R. A. Silva
,
Claudio N. Alves
,
Thavendran Govender
,
Jeronimo Lameira
,
Glenn E. M. Maguire
,
Yasien Sayed
,
Hendrik G. Kruger
(
University of KwaZulu-Natal Durban
,
Universidade Federal do Pará
,
University of the Witwatersrand
)
publication
·
7 months ago
First Enantiospecific Syntheses of Marine Merosesquiterpenes Neopetrosiquinones A and B: Evaluation of Biological Activity
by
Ikram Chayboun
,
Ettahir Boulifa
,
Ahmed Ibn Mansour
,
Fernando Rodriguez-Serrano
,
Esther Carrasco
,
Pablo Juan Alvarez
,
Rachid Chahboun
,
Enrique Alvarez-Manzaneda
(
Université Abdelmalek Essaâdi
)
publication
·
7 months ago
Discovery of potent and selective nonplanar tankyrase inhibiting nicotinamide mimics
by
Lari Lehtiö
,
Perumal Yogeeswari
,
Yves Nkizinkiko
,
B. V. S. Suneel Kumar
,
Variam Ullas Jeankumar
,
Teemu Haikarainen
,
Jarkko Koivunen
,
Chanduri Madhuri
,
Harikanth Venkannagari
,
Ezeogo Obaji
,
Taina Pihlajaniemi
,
Dharmarajan Sriram
(
Birla Institute of Technology and Science-Pilani Hyderabad campus
,
University of Oulu
)
publication
·
7 months ago
Human Metabolite Lamotrigine-N2 -glucuronide Is the Principal Source of Lamotrigine-Derived Compounds in Wastewater Treatment Plants and Surface Water
by
Bozo Zonja
,
Sandra Perez
,
DamiàBarceló
(
Tecnològic de la Universitat de Girona
,
Institute of Environmental Assessment and Water Research
)
publication
·
7 months ago
Synthesis and Antiplasmodial Evaluation of Analogues Based on the Tricyclic Core of Thiaplakortones A-D
by
Rohan A. Davis
,
Brett D. Schwartz
,
Mark J. Coster
,
Tina S. Skinner-Adams
,
Katherine T. Andrews
,
Jonathan M. White
(
Griffith University
,
University of Melbourne
)
publication
·
7 months ago
Molecular mechanisms behind the antimicrobial activity of hop iso-α-acids in Lactobacillus brevis
by
Benjamin C. Schurr
,
Hannes Hahne
,
Bernhard Kuster
,
Jürgen Behr
,
Rudi F. Vogel
(
Technische Universität München
)
publication
·
7 months ago
Predicting persistence in the sediment compartment with a new automatic software based on the k-Nearest Neighbor (k-NN) algorithm
by
Fabiola Pizzo
,
Anna Lombardo
,
Alberto Manganaro
,
Alberto Pogliaghi
,
Emilio Benfenatia
(
IRCCS Laboratory of Environmental Chemistry and Toxicology
)
publication
·
7 months ago
Development of a Peptidomimetic Antagonist of Neuropeptide FF Receptors for the Prevention of Opioid-Induced Hyperalgesia
by
Jean-Paul Humbert
,
Severine Schneider
,
Isabelle Bertin
,
Patrick Wagner
,
Martine Schmitt
,
Emilie Laboureyras
,
Benoît Petit-Demouliere
,
Elodie Schneider
,
Catherine Mollereau
,
Guy Simonnet
,
Jean-Jacques Bourguignon
,
Fredéric Bihel
(
University of Strasbourg
,
University of Bordeaux
,
University of Toulouse
)
publication
·
7 months ago
Conjugates of γ-Carbolines & Phenothiazine as new selective inhibitors of butyrylcholinesterase and blockers of NMDA receptors for Alzheimer Disease
by
Galina F. Makhaeva
,
Sofya V. Lushchekina
,
Natalia P. Boltneva
,
Vladimir B. Sokolov
,
Vladimir V. Grigoriev
,
Olga G. Serebryakova
,
Ekaterina A. Vikhareva
,
AlexeyYu. Aksinenko
,
George E. Barreto
,
Gjumrakch Aliev
,
Sergey O. Bachurin
(
Russian Academy of Sciences
,
Pontifical Xavierian University
,
Autonomous University of Chile
,
GALLY International Biomedical Research Consulting LLC
,
University of Atlanta
)
publication
·
7 months ago
Head-to-Head Comparison of Anti- Inflammatory Performance of Known Natural Products In Vitro
by
Iris E. Allijn
,
Stefan F. C. Vaessen
,
Linda C. Quarles van Ufford
,
Kees J. Beukelman
,
Menno P. J. de Winther
,
Gert Storm
,
Raymond M. Schiffelers
(
University of Applied Sciences
,
University of Twente
,
Academic Medical Center
,
PhytoGeniX BV
,
Bunnik
,
The Netherlands
)
publication
·
7 months ago
Triggered-release nanocapsules for drug delivery to the lungs
by
Jasminder Chana
,
Ben Forbes
,
Stuart A. Jones
(
King’s College London
)
publication
·
7 months ago
A k-NN Algorithm for Predicting Oral Sub-Chronic Toxicity in the Rat
by
Emilio Benfenati
,
Domenico Gadaleta
,
Fabiola Pizzo
,
Anna Lombardo
,
Angelo Carotti
,
Sylvia E. Escher
,
Orazio Nicolotti
(
Università degli Studi di Bari
)
publication
·
7 months ago
Mastering tricyclic ring systems for desirable functional cannabinoid activity
by
Philippe Diaz
,
Ravil R. Petrov
,
Lindsay Knight
,
Shao-Rui Chen
,
Jim Wager-Miller
,
Steven W. McDaniel
,
Fanny Diaz
,
Francis Barth
,
Hui-Lin Pan
,
Ken Mackie
,
Claudio N. Cavasotto
(
University of Montana
)
publication
·
7 months ago
An Evolutionary Algorithm for de Novo Optimization of Functional Transition Metal Compounds
by
Yunhan Chu
,
Wouter Heyndrickx
,
Giovanni Occhipinti
,
Vidar R. Jensen
,
Bjørn K. Alsberg
(
University of Bergen
,
University of Science and Technology
)
publication
·
7 months ago
Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case
by
Giuliano Malloci
,
Giovanni Serra
,
Andrea Bosin
,
Attilio Vittorio Vargiu
(
Cittadella Universitaria
,
University of Cagliari
)
publication
·
7 months ago
Novel ligands of Choline Acetyltransferase designed by in silico molecular docking, hologram QSAR and lead optimization
by
Rajnish Kumar
,
Bengt Långström
,
Taher Darreh-Shori
(
Uppsala University
,
Karolinska Institute
)
publication
·
7 months ago
Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow
by
Thommas M. Musyoka
,
Aquillah M. Kanzi
,
Kevin A. Lobb
,
Özlem Tastan Bishop
(
University of Pretoria
,
University of Rhodes
)
publication
·
7 months ago
The role of human CYP2C8 in the metabolizing of montelukast-like compounds: a computational study
by
Rahim Ghadari
(
University of Tabriz
)
publication
·
7 months ago
Bespoke affinity ligands for the purification of therapeutic proteins
by
Graziella El Khoury
,
Christopher R. Lowe
,
Basmah Khogeer
,
Chen Chen
,
Kheng T Ng
,
Shaleem I Jacob
(
University of Cambridge
)
publication
·
7 months ago
Hexylacrylate-based mixed-mode monolith, a stationary phase for the nano-HPLC separation of structurally related enkephalins
by
Ayat Abbood
,
Christine Herrenknecht
,
Gaëlle Proczek
,
Stéphanie Descroix
,
Jordi Rodrigo
,
Myriam Taverna
,
Claire Smadja
(
Université Paris-Sud
,
Centre National pour la Recherche Scientifique (CNRS)
)
publication
·
7 months ago
MitoBlue: A Nontoxic and Photostable Blue-Emitting Dye That Selectively Labels Functional Mitochondria
by
Mateo I. Sánchez
,
José Martínez-Costas
,
José L. Mascareñas
,
M. Eugenio Vázquez
(
Universidade de Santiago de Compostela
)
publication
·
7 months ago
Comprehensive structural analysis of the open and closed conformations of Theileria annulata enolase by molecular modelling and docking
by
Ozal Mutlu
,
Sinem Yakarsonmez
,
Emrah Sariyer
,
Ozkan Danis
,
Basak Yuce-Dursun
,
Murat Topuzogullari
,
Ekrem Akbulut
,
Direk Turgut-Balik
(
Marmara University
,
Yıldız Technical University
,
Tunceli University
)
publication
·
7 months ago
One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid
by
Nikoletta B. Báthori
,
Luigi R. Nassimbeni
,
Jacco van de Streek
(
University of Copenhagen
,
Cape Peninsula University of Technology
)
publication
·
7 months ago
Chemical Compounds and Biological Activity of an Extract from Bougainvillea X Buttiana (Var. Rose) Holttum and Stand
by
RIGOBERTO VILLANUEVA GUERRERO
,
RODOLFO ABARCA-VARGAS
,
VERA L. PETRICEVICH
(
UAEM
)
publication
·
7 months ago
Combined In Situ and In Silico Studies of Guest Intercalation into the Layered Double Hydroxide [LiAl2(OH)6]X·yH2O
by
Abdessamad Kaassis
,
Si-Min Xu
,
David G. Evans
,
Gareth R. Williams
,
Min Wei
,
Xue Duan
(
University College London
,
Beijing University
)
publication
·
7 months ago
A Comparative Study of 2D UMI and 3D Zernike Shape Descriptor for ATS Drugs Identification
by
Satrya Fajri Pratama
,
Azah Kamilah Muda
,
Yun-Huoy Choo
,
Ajith Abraham
(
Technical University of Malaysia Malacca
)
publication
·
7 months ago
Prediction of human volume of distribution values for drugs using linear and nonlinear quantitative structure pharmacokinetic relationship models
by
Vijay K. Agrawal
,
Bruno Louis
(
Sultan Qaboos University Hospital
)
presentation
·
8 months ago
ChemAxon Prodcut Portfolio
by
Ákos Tarcsay
(
ChemAxon
)
presentation
·
8 months ago
Travelling in Time with ChemAxon
by
Daniel Bonniot de Ruisselet
(
ChemAxon
)
presentation
·
8 months ago
Advances in Structure Search in Reaxys with Marvin JS
by
Jim Rinker
(
ChemAxon
,
Elsevier
)
Partner
presentation
·
9 months ago
Software tools in the academic HTS workflow
by
David Sedlák
(
Institute of Molecular Genomics
)
news
·
9 months ago
ChemAxon European User Meeting, Budapest, March 20-22, 2018
by
Wendy Warr
(
ChemAxon
,
Wendy Warr & Associates
)
Wendy Warr
presentation
·
10 months ago
Marvin Live End User View
by
Iván Solt
,
Alexander Schmalz
(
ChemAxon
,
Boehringer Ingelheim
)
presentation
·
10 months ago
Cheminformatics Solutions Portfolio
by
Ákos Tarcsay
(
ChemAxon
)
news
·
1 year ago
ChemAxon US User Meeting, San Francisco, April 10-11, 2017
by
Wendy Warr
(
Wendy Warr & Associates
)
meeting report
presentation
·
1 year ago
Finland's national matriculation exams go electronic
by
Matti Lattu
(
Matriculation Exam Board of Finland
)
presentation
·
1 year ago
Closing the gap between organic synthesis and bioactive chemical space
by
Gergely Makara
(
ChemPass
)
Partner
presentation
·
1 year ago
ChemAxon at Merck
by
Elke Hofmann
,
Michael Hofmann
(
Merck
)
presentation
·
1 year ago
ChemAxon Portfolio Walk Through
by
Ákos Tarcsay
(
ChemAxon
)
presentation
·
1 year ago
ChemAxon Marvin JS sketcher integration in Discngine Decision
by
Sandra Plumas
(
Discngine
)
presentation
·
1 year ago
ChemAxon Portfolio Walk Through
by
Aurora Costache
(
ChemAxon
)
webinar
·
1 year ago
IDBS & ChemAxon's Webinar: Showcasing the Best of Cheminformatics & Biologics in Data Management
by
Anna Tomin
,
Ian Peirson
(
ChemAxon
,
IDBS
)
presentation
·
3 years ago
MarvinSketch
by
Eufrozina Hoffmann
(
ChemAxon
)
publication
·
3 years ago
Do adsorbed drugs to P-glycoprotein influence its efflux capability?
by
Ricardo J Ferreira
,
Daniel J. V. A. dos Santos
,
Maria-Jose U. Ferreira
(
Universidade de Lisboa
)
publication
·
3 years ago
Theoretical insight into the antioxidant properties of melatonin and derivatives
by
Jeffrey R. Johns
,
James A. Platts
(
Khon Kaen University
)
publication
·
3 years ago
Metabolite profiling and beyond: approaches for the rapid processing and annotation of human blood serum mass spectrometry data
by
Steffen Neumann
,
Jan Stanstrup
,
Michael Gerlich
,
Lars Ove Dragsted
(
University of Copenhagen
)
publication
·
3 years ago
LipidBlast Templates As Flexible Tools for Creating New in-Silico Tandem Mass Spectral Libraries
by
Tobias Kind
,
Oliver Fiehn
,
Yozo Okazaki
,
Kazuki Saito
(
University of California Davis
,
Chiba University
)
publication
·
6 years ago
The SuBliMinaL Toolbox: automating steps in the reconstruction of metabolic networks
by
Neil Swainston
,
Kieran Smallbone
,
Pedro Mendes
,
Douglas B Kell
,
Norman W Paton
(
University of Manchester
,
Virginia Bioinformatics Institute
)
publication
·
6 years ago
Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties
by
Martin Krauss
,
Tobias Schulze
,
Werner Brack
,
Emma L. Schymanski
,
Christine M. J. Gallampois
,
Markus Meringer
,
Steffen Neumann
,
Sebastian Wolf
(
Swiss Federal Institute of Aquatic Science and Technology
,
Linköping University
,
DLR – German Aerospace Centre - Remote Sensing Technology Institute
,
IPB – Leibniz Institute of Plant Biochemistry
,
Helmholtz Centre for Environmental Research
)
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