Prediction of drug-induced mitochondrial dysfunction using succinate-cytochrome c reductase activity, QSAR and molecular docking

Multiparametric assessment of mitochondrial respiratory inhibition in HepG2 and RPTEC/TERT1 cells using a panel of mitochondrial targeting agrochemicals

(2020) Wanda van der Stel et al.   ARCHIVES OF TOXICOLOGY

QSAR and molecular docking for the search of AOX inhibitors: a rational drug discovery approach

(2020) Alicia Rosell-Hidalgo et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Linking mitochondrial dysfunction to organismal and population health in context of environmental pollutants: Progress and considerations for mitochondrial adverse outcome pathways

(2019) David A. Dreier et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Identification and description of the uncertainty, variability, bias and influence in quantitative structure-activity relationships (QSARs) for toxicity prediction

(2019) Mark T.D. Cronin et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Evolutionarily conserved susceptibility of the mitochondrial respiratory chain to SDHI pesticides and its consequence on the impact of SDHIs on human cultured cells

(2019) Paule Bénit et al.   PLoS One

Binding Affinity via Docking: Fact and Fiction

(2018) Tatu Pantsar et al.   MOLECULES

Anticancer effects and underlying mechanism of Colchicine on human gastric cancer cell lines in vitro and in vivo

(2018) Tao Zhang et al.   BIOSCIENCE REPORTS

Structure-Based Discovery of Potential Fungicides as Succinate Ubiquinone Oxidoreductase Inhibitors

(2017) Li Xiong et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Points of Significance: Principal component analysis

(2017) Jake Lever et al.   NATURE METHODS

Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III

(2016) Lothar Esser et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

(2016) Zhe Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparative evaluation of 11 in silico models for the prediction of small molecule mutagenicity: role of steric hindrance and electron-withdrawing groups

(2016) Kevin A. Ford et al.   TOXICOLOGY MECHANISMS AND METHODS

Comparative evaluation of 11 in silico models for the prediction of small molecule mutagenicity: role of steric hindrance and electron-withdrawing groups

(2016) Kevin A. Ford et al.   TOXICOLOGY MECHANISMS AND METHODS

Toxicophore exploration as a screening technology for drug design and discovery: techniques, scope and limitations

(2015) Pankaj Kumar Singh et al.   ARCHIVES OF TOXICOLOGY

Development of an in Silico Profiler for Mitochondrial Toxicity

(2015) Mark D. Nelms et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Ametoctradin is a Potent Qo Site Inhibitor of the Mitochondrial Respiration Complex III

(2015) Xiaolei Zhu et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Discovery of Potent Indenoisoquinoline Topoisomerase I Poisons Lacking the 3-Nitro Toxicophore

(2015) Daniel E. Beck et al.   JOURNAL OF MEDICINAL CHEMISTRY

Colchicine induces apoptosis in HT-29 human colon cancer cells via the AKT and c-Jun N-terminal kinase signaling pathways

(2015) ZHEN HUANG et al.   Molecular Medicine Reports

Proposal of an in silico profiler for categorisation of repeat dose toxicity data of hair dyes

(2014) M. D. Nelms et al.   ARCHIVES OF TOXICOLOGY

Azoxystrobin, a mitochondrial complex III Qo site inhibitor, exerts beneficial metabolic effects in vivo and in vitro

(2014) An-Hui Gao et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Computational and Experimental Insight into the Molecular Mechanism of Carboxamide Inhibitors of Succinate-Ubquinone Oxidoreductase

(2014) Xiao-Lei Zhu et al.   ChemMedChem

Peroxisome proliferator-activated receptors and their ligands: nutritional and clinical implications - a review

(2014) Bogna Grygiel-Górniak   Nutrition Journal

Physiological consequences of complex II inhibition for aging, disease, and the mKATP channel

(2013) Andrew P. Wojtovich et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

QSAR Modeling: Where Have You Been? Where Are You Going To?

(2013) Artem Cherkasov et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure of the trypanosome cyanide-insensitive alternative oxidase

(2013) T. Shiba et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The adverse outcome pathway concept: A pragmatic tool in toxicology

(2013) Mathieu Vinken   TOXICOLOGY

High-throughput respirometric assay identifies predictive toxicophore of mitochondrial injury

(2013) Lauren P. Wills et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Pharmacophore identification of ascofuranone, potent inhibitor of cyanide-insensitive alternative oxidase of Trypanosoma brucei

(2012) Hiroyuki Saimoto et al.   JOURNAL OF BIOCHEMISTRY

The Development of Structure-Activity Relationships for Mitochondrial Dysfunction: Uncoupling of Oxidative Phosphorylation

(2012) Russell T. Naven et al.   TOXICOLOGICAL SCIENCES

Colchicine-induced apoptosis in human normal liver L-02 cells by mitochondrial mediated pathways

(2012) Xue-mei Chen et al.   TOXICOLOGY IN VITRO

Design, syntheses, and kinetic evaluation of 3-(phenylamino)oxazolidine-2,4-diones as potent cytochrome bc1 complex inhibitors

(2011) Fu Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

The acceptance of in silico models for REACH: Requirements, barriers, and perspectives

(2011) Emilio Benfenati et al.   Chemistry Central Journal

Further exploring rm2 metrics for validation of QSPR models

(2011) Probir Kumar Ojha et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Comparative Studies on Some Metrics for External Validation of QSPR Models

(2011) Kunal Roy et al.   Journal of Chemical Information and Modeling

Metabolomics – A robust bioanalytical approach for the discovery of the modes-of-action of pesticides: A review

(2011) Konstantinos A. Aliferis et al.   PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY

Thiabendazole inhibits ubiquinone reduction activity of mitochondrial respiratory complex II via a water molecule mediated binding feature

(2011) Qiangjun Zhou et al.   Protein & Cell

Adverse outcome pathways: A conceptual framework to support ecotoxicology research and risk assessment

(2010) Gerald T. Ankley et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Mechanism of action and selectivity of a novel fungicide, pyribencarb

(2010) Satoshi Kataoka et al.   JOURNAL OF PESTICIDE SCIENCE

Ascochlorin is a novel, specific inhibitor of the mitochondrial cytochrome bc1 complex

(2009) Edward A. Berry et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Comparative Assessment of Scoring Functions on a Diverse Test Set

(2009) Tiejun Cheng et al.   Journal of Chemical Information and Modeling

Prediction of drug-related cardiac adverse effects in humans-B: Use of QSAR programs for early detection of drug-induced cardiac toxicities

(2009) Anna A. Frid et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Molecular basis of resistance to cytochromebc1inhibitors

(2008) Nick Fisher et al.   FEMS YEAST RESEARCH

Antagonism of dopamine D2 receptor/ -arrestin 2 interaction is a common property of clinically effective antipsychotics

(2008) B. Masri et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

In silico prediction of mitochondrial toxicity by using GA-CG-SVM approach

(2008) Hui Zhang et al.   TOXICOLOGY IN VITRO