Integrating Drug’s Mode of Action into Quantitative Structure–Activity Relationships for Improved Prediction of Drug-Induced Liver Injury

Leihong Wu; Zhichao Liu; Scott Auerbach; Ruili Huang; Minjun Chen; Kristin McEuen; Joshua Xu; Hong Fang; Weida Tong

doi:10.1021/acs.jcim.6b00719

Integrating Drug’s Mode of Action into Quantitative Structure–Activity Relationships for Improved Prediction of Drug-Induced Liver Injury

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.6b00719 ◽

2017 ◽

Vol 57 (4) ◽

pp. 1000-1006 ◽

Cited By ~ 11

Author(s):

Leihong Wu ◽

Zhichao Liu ◽

Scott Auerbach ◽

Ruili Huang ◽

Minjun Chen ◽

...

Keyword(s):

Liver Injury ◽

Mode Of Action ◽

Quantitative Structure ◽

Drug Induced ◽

Drug Induced Liver Injury ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative Structure–Activity Relationship Models for Predicting Risk of Drug-Induced Liver Injury in Humans

Methods in Pharmacology and Toxicology - Drug-Induced Liver Toxicity ◽

10.1007/978-1-4939-7677-5_5 ◽

2018 ◽

pp. 77-100 ◽

Cited By ~ 3

Author(s):

Huixiao Hong ◽

Jieqiang Zhu ◽

Minjun Chen ◽

Ping Gong ◽

Chaoyang Zhang ◽

...

Keyword(s):

Liver Injury ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Drug Induced ◽

Drug Induced Liver Injury ◽

Structure Activity

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Quantitative Structure-Activity Relationship Models for Predicting Drug-Induced Liver Injury Based on FDA-Approved Drug Labeling Annotation and Using a Large Collection of Drugs

Toxicological Sciences ◽

10.1093/toxsci/kft189 ◽

2013 ◽

Vol 136 (1) ◽

pp. 242-249 ◽

Cited By ~ 54

Author(s):

Minjun Chen ◽

Huixiao Hong ◽

Hong Fang ◽

Reagan Kelly ◽

Guangxu Zhou ◽

...

Keyword(s):

Liver Injury ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Large Collection ◽

Drug Induced ◽

Drug Induced Liver Injury ◽

Drug Labeling ◽

Structure Activity

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Toxicity in relation to mode of action for the nematodeCaenorhabditis elegans: Acute-to-chronic ratios and quantitative structure-activity relationships

Environmental Toxicology and Chemistry ◽

10.1002/etc.3069 ◽

2015 ◽

Vol 34 (10) ◽

pp. 2347-2353 ◽

Cited By ~ 8

Author(s):

Kai Ristau ◽

Yeliz Akgül ◽

Anna Sophie Bartel ◽

Jana Fremming ◽

Marie-Theres Müller ◽

...

Keyword(s):

Mode Of Action ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Investigating the Mechanisms of Aromatic Amine-Induced Protein Free Radical Formation by Quantitative Structure−Activity Relationships: Implications for Drug-Induced Agranulocytosis

Chemical Research in Toxicology ◽

10.1021/tx900432d ◽

2010 ◽

Vol 23 (5) ◽

pp. 880-887 ◽

Cited By ~ 8

Author(s):

Arno G. Siraki ◽

JinJie Jiang ◽

Ronald P. Mason

Keyword(s):

Free Radical ◽

Aromatic Amine ◽

Radical Formation ◽

Quantitative Structure ◽

Drug Induced ◽

Structure Activity Relationships ◽

Structure Activity ◽

Free Radical Formation ◽

Quantitative Structure Activity Relationships

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Antibacterial prenylated isoflavonoids and stilbenoids : quantitative structure-activity relationships and mode of action

10.18174/400170 ◽

2017 ◽

Author(s):

Carla Araya-Cloutier

Keyword(s):

Mode Of Action ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative Structure-Activity Relationships of Potential Antimalarial Drugs Active Against Chloroquine-Resistant Plasmodium Falciparum

Planta Medica ◽

10.1055/s-2008-1075144 ◽

2008 ◽

Vol 74 (03) ◽

Author(s):

SJ Hocart ◽

H Liu ◽

D De ◽

FM Krogstad ◽

DJ Krogstad

Keyword(s):

Plasmodium Falciparum ◽

Antimalarial Drugs ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Parabolic Quantitative Structure–Activity Relationships and Photodynamic Therapy: Application of a Three-Compartment Model with Clearance to the In Vivo Quantitative Structure–Activity Relationships of a Congeneric Series of Pyropheophorbide Derivatives Used as Photosensitizers for Photodynamic Therapy

Photochemistry and Photobiology ◽

10.1562/0031-8655(1999)070<0781:pqsrap>2.3.co;2 ◽

1999 ◽

Vol 70 (5) ◽

pp. 781 ◽

Cited By ~ 2

Author(s):

W. R. Potter ◽

B. W. Henderson ◽

D. A. Bellnier ◽

R. K. Pandey ◽

L. A. Vaughan ◽

...

Keyword(s):

Photodynamic Therapy ◽

Compartment Model ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Three Compartment Model ◽

Quantitative Structure Activity Relationships

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Binding Affinity of Triphenyl Acrylonitriles to Estrogen Receptors: Quantitative Structure-Activity Relationships

Folia Medica ◽

10.2478/v10153-010-0005-2 ◽

2010 ◽

Vol 52 (3) ◽

Cited By ~ 1

Author(s):

Sorana Bolboacă ◽

Monica Marta ◽

Lorentz Jäntschi

Keyword(s):

Estrogen Receptors ◽

Binding Affinity ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative Structure-Activity Relationships for Cellular Uptake of Surface-Modified Nanoparticles

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207318666150306105525 ◽

2015 ◽

Vol 18 (4) ◽

pp. 365-375 ◽

Cited By ~ 6

Author(s):

Rong Liu ◽

Robert Rallo ◽

Muhammad Bilal ◽

Yoram Cohen

Keyword(s):

Cellular Uptake ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Surface Modified ◽

Surface Modified Nanoparticles

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Investigation of the Structural Requirement for Blocking the Human CCR5 Chemokine Receptor. An Insight from Quantitative Structure Activity Relationships Study

Letters in Drug Design & Discovery ◽

10.2174/157018009787582615 ◽

2009 ◽

Vol 6 (2) ◽

pp. 114-124 ◽

Cited By ~ 1

Author(s):

Nigus Dessalew

Keyword(s):

Chemokine Receptor ◽

Quantitative Structure ◽

Structural Requirement ◽

Ccr5 Chemokine Receptor ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Human Ccr5

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