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Total posts by Marvin: 221
publication
·
1 year ago
Hybrid Pharmacophore Design, Molecular Docking, Synthesis, and Biological Evaluation of Novel Aldimine-Type Schiff Base Derivatives as Tubulin Polymerization Inhibitor
by
Alieh Ameri
,
Ghadamali Khodarahmi
,
Farshid Hassanzadeh
,
Hamid Forootanfar
,
GholamHosein Hakimelahi
(
Kerman University of Medical Sciences
)
publication
·
1 year ago
Fluorescence detection and removal of copper from water using a biobased and biodegradable 2D soft material
by
Meng Li
,
Zhijiang Liu
,
Shuwen Wang
,
David G. Calatayud
,
Wei-Hong Zhu
,
Tony D. James
,
Lidong Wang
,
Boyang Mao
,
Hui-Ning Xiao
(
East China University of Science and Technology
,
University of Manchester
,
North China Electric Power University
,
University of Bath
)
publication
·
1 year ago
A comparison of equilibrium and kinetic passive sampling for monitoring of aquatic organic contaminants in German rivers
by
Yoonah Jeong
,
Andreas Schäffer
,
Kilian Smith
(
Korea Institute of Science and Technology
,
Aachen University
)
publication
·
1 year ago
Antiparasitic activity of new gibbilimbol analogues and SAR analysis through efficiency and statistical methods
by
Marina T. Varela
,
Maiara M. Romaneli
,
Marta L. Lima
,
Samanta E.T. Borborema
,
Andre G. Tempone
,
João P.S. Fernandes
(
University of Sao Paulo
,
Instituto Adolfo Lutz
)
event
·
1 year ago
ChemAxon TechTalk in San Francisco, CA
publication
·
1 year ago
A drug pocket at the lipid bilayer–potassium channel interface
by
Erik Lindahl
,
Nina E. Ottosson
,
Malin Silverå Ejneby
,
Xiongyu Wu
,
Samira Yazdi
,
Peter Konradsson
,
Fredrik Elinder
(
Stockholm University
,
Linköping University
)
publication
·
1 year ago
Toward More Drug Like Inhibitors of Trypanosome Alternative Oxidase
by
Simon E. Ward
,
Ryan A. West
,
Thomas Cunningham
,
Lewis E. Pennicott
,
Srinivasa P. S. Rao
(
University of Sussex
,
Cardiff University
,
Novartis Institutes for Tropical Diseases
)
publication
·
1 year ago
A Novel Model to Predict Infinite Dilution Solubility Coefficients in Glassy Polymers
by
Mikhail Goubko
,
Oleg Miloserdov
,
Yuri Yampolskii
,
Alexander Alentiev
,
Victoria Ryzhikh
(
Russian Academy of Sciences
)
publication
·
1 year ago
In silico and In vivo Toxicological Evaluation of Cissampelos Sympodialis Secondary Metabolites in Rattus Norvegicus
by
Francisco Jaime Bezerra Mendonça Júnior
,
José Maria Barbosa Filho
,
Luciana Scotti
,
Marcus Tullius Scotti
,
Mateus F. Alves
,
Sócrates G. dos Santos
,
Margareth de F. F. M. Diniz
,
Josean Fechine Tavares
,
Mayara B. Felix
,
Hamilton M. Ishiki
,
Cinthia Rodrigues Melo
,
Frederico F. Ribeiro
,
Kardilândia M. de Oliveira
,
Andrea F. R. de Paula
,
Alexandre R. da Paz
(
Federal University of Paraiba
,
State University of Paraiba
,
Universit of Western São Paulo
,
Federal University of Pernambuco
)
publication
·
1 year ago
Structure- and Ligand-Based Approaches to Evaluate Aporphynic Alkaloids from Annonaceae as Multi-Target Agent Against Leishmania donovani
by
Vitor Prates Lorenzo
,
José Maria Barbosa Filho
,
Luciana Scotti
,
Marcus Tullius Scotti
,
Ana Silvia Suassuna Carneiro Lúcio
,
Josean Fechine Tavares
,
Tatjana Keesen de Souza Lima
,
Juliana da Câmara Rocha
(
Federal University of Paraiba
,
Federal Institute of Sertao Pernambucano
)
publication
·
1 year ago
Secondary Metabolites from Cissampelos, A Possible Source for New Leads with Anti-Inflammatory Activity
by
Francisco Jaime Bezerra Mendonça Júnior
,
José Maria Barbosa Filho
,
Luciana Scotti
,
Marcus Tullius Scotti
,
Mateus F. Alves
,
Sílvia A. L. de Melo
,
Sócrates G. dos Santos
,
Margareth de F. F. M. Diniz
(
Federal University of Paraiba
,
State University of Paraiba
)
publication
·
1 year ago
Design, preparation and application of a Pirkle-type chiral stationary phase for enantioseparation of some racemic organic acids and molecular dynamics studies
by
Reşit Çakmak
,
Selami Ercan
,
Murat Sünkür
,
Hayrullah Yılmaz
,
Giray Topal
(
Batman University
,
Dicle University
)
publication
·
1 year ago
Emerging investigators series: occurrence and fate of emerging organic contaminants in wastewater treatment plants with an enhanced nitrification step
by
Yue Xing
,
Yaochun Yu
,
Yujie Men
(
University of Illinois
)
publication
·
1 year ago
Synthesis and biological evaluation of lipophilic teicoplanin pseudoaglycon derivatives containing a substituted triazole function
by
Zsolt Szűcs
,
Magdolna Csávás
,
Erzsébet Rőth
,
Anikó Borbás
,
Gyula Batta
,
Florent Perret
,
Eszter Ostorházi
,
Réka Szatmári
,
Evelien Vanderlinden
,
Lieve Naesens
,
Pál Herczegh
(
Semmelweis University
,
KU Leuven
,
University of Debrecen
,
Université Lyon
)
publication
·
1 year ago
Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase
by
J. Fraser Glickman
,
Lavoisier Ramos-Espiritu
,
Silke Kleinboelting
,
Felipe A. Navarrete
,
Antonio Alvau
,
Pablo E. Visconti
,
Federica Valsecchi
,
Anatoly Starkov
,
Giovanni Manfredi
,
Hannes Buck
,
Carolina Adura
,
Jonathan H. Zippin
,
Joop van den Heuve
,
Clemens Steegborn
,
Lonny R. Levin
,
Jochen Buck
(
Weill Cornell Medical College
,
University of Massachusetts
,
The Rockefeller University
,
University of Bayreuth
,
Helmholtz Zentrum fur Infektionsforschung
)
publication
·
1 year ago
Thermal Diffusion of Nucleotides
by
Zilin Wang
,
Hartmut Kriegs
,
Simone Wiegand
(
Forschungszentrum Jülich GmbH
)
publication
·
1 year ago
Effect-directed analysis (EDA) of Danube River water sample receiving untreated municipal wastewater from Novi Sad, Serbia
by
Martin Krauss
,
Werner Brack
,
Muhammad Arslan Kamal Hashmi
,
Beate I. Escher
,
Ivana Teodorovic
(
Helmholtz Centre for Environmental Research
,
University Tübingen
,
University of Novi Sad
)
publication
·
1 year ago
Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4
by
Stephan C. Schürer
,
Bryce K. Allen
,
Saurabh Mehta
,
Ernst Schönbrunn
,
Stewart W. J. Ember
,
Nagi Ayad
(
University of Miami
,
Delhi Technological University
,
H. Lee Moffitt Cancer Center and Research Institute
)
publication
·
1 year ago
Identification of Mutagenic Aromatic Amines in River Samples with Industrial Wastewater Impact
by
Martin Krauss
,
Werner Brack
,
Melis Muz
,
Janek Paul Dann
,
Felix Jager
(
Helmholtz Centre for Environmental Research
,
Aachen University
)
publication
·
1 year ago
Immunogenicity Testing of Lipidoids In Vitro and In Silico: Modulating Lipidoid-Mediated TLR4 Activation by Nanoparticle Design
by
Kaushik Thanki
,
Xianghui Zeng
,
Emily Falkenberg
,
Henrik Franzyk
,
Camilla Foged
,
Anne Marit de Groot
,
Monique Gangloff
,
Djai C.J. van Bijnen
,
Willem van Eden
,
Hanne M. Nielsen
,
Femke Broere
,
Nick J. Gay
,
Alice J.A.M. Sijts
publication
·
1 year ago
Chemistry and medicinal uses of the subfamily Barnadesioideae (Asteraceae)
by
Gari V. Ccana-Ccapatinta
,
Marcelo Monge
,
Paola L. Ferreira
,
Fernando B. Da Costa
(
University of Campinas
,
University of Sao Paulo
,
Ribeirao Preto (FFCLRP)
)
publication
·
1 year ago
Toward More Drug Like Inhibitors of Trypanosome Alternative Oxidase
by
Simon E. Ward
,
Ryan A. West
,
Thomas Cunningham
,
Lewis E. Pennicott
,
Srinivasa P. S. Rao
(
University of Sussex
,
Cardiff University
)
publication
·
1 year ago
Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations
by
Stephan C. Schürer
,
Bryce K. Allen
,
Saurabh Mehta
,
Stuart W. J. Ember
,
Jin-Yi Zhu
,
Ernst Schönbrunn
,
Nagi G. Ayad
(
University of Miami
,
Delhi Technological University
,
H. Lee Moffitt Cancer Center and Research Institute
)
publication
·
1 year ago
Conformation-switchable helical polypeptide eliciting selective pro-apoptotic activity for cancer therapy
by
DaeYong Leea
,
Soo-Hwan Leeb
,
Youjin Nab
,
Ilkoo Noha
,
JongHoon Haa
,
Jisang Yooa
,
Hyun Bae Banga
,
Jong Hyun Parka
,
Ki Jun Jeonga
,
Chae-Ok Yunb
,
Yeu-Chun Kima
(
Korea Advanced Institute of Science and Technology
,
Hanyang University
)
publication
·
1 year ago
Engineering of small interfering RNA-loaded lipidoid-poly(DL-lactic-co- glycolic acid) hybrid nanoparticles for highly efficient and safe gene silencing: A quality by design-based approach
by
Kaushik Thanki
,
Xianghui Zeng
,
Sarah Justesen
,
Sarah Tejlmann
,
Emily Falkenberg
,
Elize Van Driessche
,
Hanne Mørck Nielsen
,
Henrik Franzyk
,
Camilla Foged
(
University of Copenhagen
)
publication
·
1 year ago
Discovery and Characterization of a Peptoid with Antifungal Activity against Cryptococcus neoformans
by
Ashley E. Corson
,
Scott A. Armstrong
,
Matthew E. Wright
,
Erin E. McClelland
,
Kevin L. Bicker
(
Middle Tennessee State University
)
publication
·
1 year ago
Development of a Reverse Phase HPLC Retention Index Model for Nontargeted Metabolomics Using Synthetic Compounds.
by
L. Mark Hall
,
Dennis W. Hill
,
Kelly Bugden
,
Shannon Cawley
,
Lowell H. Hall
,
Ming-Hui Chen
,
David F. Grant
(
University of Connecticut
)
publication
·
1 year ago
Design and synthesis of a new series of 3,5-disubstituted isoxazoles active against Trypanosoma cruzi and Leishmania amazonensis
by
Rafael da Rosa
,
Milene Hoehr de Moraes
,
Lara Almida Zimmermann
,
Eloir Paulo Schenkel
,
Mario Steindel
,
Lílian Sibelle Campos Bernardes
publication
·
1 year ago
Classification of carcinogenic and mutagenic properties using machine learning method
by
N.S Hari Narayana Moorthy
,
Surendra Kumar
,
Vasanthanathan Poongavanam
(
Universidade do Porto
,
University of Southern Denmark
,
Das Northern India Institute of Technology
)
publication
·
1 year ago
Communication: Accurate hydration free energies at a wide range of temperatures from 3D-RISM
by
Maksim Misin
,
Maxim V. Fedorov
,
David S. Palmer
(
University of Strathclyde
)
publication
·
1 year ago
A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands
by
György M. Keserű
,
Ádam A. Kelemen
,
́György G. Ferenczy
(
Hungarian Academy of Sciences
)
publication
·
1 year ago
A Density Functional Study of the Inhibition of the Anthrax Lethal Factor Toxin by Quinoline-based small Molecules related to Aminoquinuride (NSC 12155).
by
Juan-Sebastián Gómez-Jeria
(
University of Chile
)
publication
·
1 year ago
An in-depth assessment into simultaneous monitoring of dissolved reactive phosphorus (DRP) and low-molecular-weight organic phosphorus (LMWOP) in aquatic environments using diffusive gradients in thin films (DGT)
by
Christian Wilhelm Mohr
,
Rolf David Vogt
,
Oddvar Royset
,
Tom Andersen
,
Neha Amit Parekh
(
University of Oslo
,
Norwegian Institute for Water Research (NIVA)
)
publication
·
1 year ago
Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents
by
Brian K. Shoichet
,
Virginia A. Kincaid
,
Nir London
,
Kittikhun Wangkanont
,
Darryl A. Wesener
,
Sarah A. Marcus
,
Annie Heroux
,
Lyudmila Nedyalkova
,
Adel M. Talaat
,
Katrina T. Forest
,
Laura L. Kiessling
(
University of Toronto
,
University of Wisconsin
,
University of California
,
Brookhaven National Laboratories
)
publication
·
1 year ago
Antivirulent and Antibiofilm Salicylidene Acylhydrazide Complexes in Solution and at Interfaces
by
Shoghik Hakobyan
(
Umeå University
)
news
·
1 year ago
Bio-ITech integrates ChemAxon's chemical editor Marvin JS - adding chemistry support to their ELN
(
ChemAxon
,
Bio-ITech
)
press release
publication
·
1 year 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
·
1 year 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
,
Zsolt Szűcs
,
Borbála Balla
,
Gábor Vasas
,
Attila Kiss-Szikszai
(
University of Debrecen
)
publication
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year 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
·
1 year ago
Triggered-release nanocapsules for drug delivery to the lungs
by
Jasminder Chana
,
Ben Forbes
,
Stuart A. Jones
(
King’s College London
)
publication
·
1 year 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
·
1 year 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
)
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