Pharmacophore Modeling, Quantitative Structure–Activity Relationship Analysis, and in Silico Screening Reveal Potent Glycogen Synthase Kinase-3β Inhibitory Activities for Cimetidine, Hydroxychloroquine, and Gemifloxacin

Mutasem O. Taha; Yasser Bustanji; Mohamed A. S. Al-Ghussein; Mohammad Mohammad; Hiba Zalloum; Ihab M. Al-Masri; Naji Atallah

doi:10.1021/jm7009765

Pharmacophore Modeling, Quantitative Structure–Activity Relationship Analysis, and in Silico Screening Reveal Potent Glycogen Synthase Kinase-3β Inhibitory Activities for Cimetidine, Hydroxychloroquine, and Gemifloxacin

Journal of Medicinal Chemistry ◽

10.1021/jm7009765 ◽

2008 ◽

Vol 51 (7) ◽

pp. 2062-2077 ◽

Cited By ~ 63

Author(s):

Mutasem O. Taha ◽

Yasser Bustanji ◽

Mohamed A. S. Al-Ghussein ◽

Mohammad Mohammad ◽

Hiba Zalloum ◽

...

Keyword(s):

In Silico ◽

Glycogen Synthase ◽

Quantitative Structure Activity Relationship ◽

Pharmacophore Modeling ◽

Quantitative Structure ◽

Glycogen Synthase Kinase 3Β ◽

In Silico Screening ◽

Relationship Analysis ◽

Structure Activity ◽

Inhibitory Activities

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Combining Ligand-Based Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis and in Silico Screening for the Discovery of New Potent Hormone Sensitive Lipase Inhibitors

Journal of Medicinal Chemistry ◽

10.1021/jm800718k ◽

2008 ◽

Vol 51 (20) ◽

pp. 6478-6494 ◽

Cited By ~ 53

Author(s):

Mutasem O. Taha ◽

Lina A. Dahabiyeh ◽

Yasser Bustanji ◽

Hiba Zalloum ◽

Suhair Saleh

Keyword(s):

In Silico ◽

Quantitative Structure Activity Relationship ◽

Pharmacophore Modeling ◽

Hormone Sensitive Lipase ◽

Activity Relationship ◽

Quantitative Structure ◽

In Silico Screening ◽

Relationship Analysis ◽

Structure Activity ◽

Hormone Sensitive

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In-silico Comparative Study and Quantitative Structure-activity Relationship Analysis of Some Structural Physiochemical Descriptors of Elvitegravir Analogs

Journal of Young Pharmacists ◽

10.4103/0975-1483.83776 ◽

2011 ◽

Vol 3 (3) ◽

pp. 246-249 ◽

Cited By ~ 3

Author(s):

R. Satpathy ◽

S. Ghosh

Keyword(s):

Comparative Study ◽

In Silico ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity

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Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.22115 ◽

2008 ◽

Vol 73 (4) ◽

pp. 889-901 ◽

Cited By ~ 22

Author(s):

N. Schormann ◽

O. Senkovich ◽

K. Walker ◽

D.L. Wright ◽

A.C. Anderson ◽

...

Keyword(s):

Trypanosoma Cruzi ◽

Dihydrofolate Reductase ◽

In Silico ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

In Silico Screening ◽

Structure Activity ◽

Pharmacophore Identification

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Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis, and Shape-Complementedin SilicoScreening Allow Access to Novel Influenza Neuraminidase Inhibitors

Journal of Chemical Information and Modeling ◽

10.1021/ci8003682 ◽

2009 ◽

Vol 49 (4) ◽

pp. 978-996 ◽

Cited By ~ 37

Author(s):

Areej M. Abu Hammad ◽

Mutasem O. Taha

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Pharmacophore Modeling ◽

Activity Relationship ◽

Neuraminidase Inhibitors ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity

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Combining 3-D Quantitative Structure−Activity Relationship with Ligand Based and Structure Based Alignment Procedures for in Silico Screening of New Hepatitis C Virus NS5B Polymerase Inhibitors

Journal of Chemical Information and Modeling ◽

10.1021/ci9004749 ◽

2010 ◽

Vol 50 (4) ◽

pp. 662-676 ◽

Cited By ~ 42

Author(s):

Ira Musmuca ◽

Antonia Caroli ◽

Antonello Mai ◽

Neerja Kaushik-Basu ◽

Payal Arora ◽

...

Keyword(s):

Hepatitis C Virus ◽

Hepatitis C ◽

In Silico ◽

Quantitative Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

In Silico Screening ◽

Polymerase Inhibitors ◽

Structure Activity ◽

Ns5b Polymerase

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Quantitative Structure-Activity Relationship Analysis and a Combined Ligand-Based/Structure-Based Virtual Screening Study for Glycogen Synthase Kinase-3

Molecular Informatics ◽

10.1002/minf.201400045 ◽

2014 ◽

Vol 33 (9) ◽

pp. 627-640 ◽

Cited By ~ 6

Author(s):

Gang Fu ◽

Sheng Liu ◽

Xiaofei Nan ◽

Olivia R. Dale ◽

Zhendong Zhao ◽

...

Keyword(s):

Virtual Screening ◽

Glycogen Synthase ◽

Quantitative Structure Activity Relationship ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3 ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Screening Study

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Pharmacophore modeling and 3D quantitative structure-activity relationship analysis of febrifugine analogues as potent antimalarial agent

Journal of Advanced Pharmaceutical Technology amp Research ◽

10.4103/2231-4040.107501 ◽

2013 ◽

Vol 4 (1) ◽

pp. 50 ◽

Cited By ~ 8

Author(s):

Debanjan Sen ◽

TapanKumar Chatterjee

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Pharmacophore Modeling ◽

Activity Relationship ◽

Quantitative Structure ◽

Antimalarial Agent ◽

Relationship Analysis ◽

Structure Activity

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Quantitative Structure-Activity Relationship Analysis of the Cation Permeability of the P2X2 Channel

Medicinal Chemistry ◽

10.2174/1573406053175210 ◽

2005 ◽

Vol 1 (2) ◽

pp. 109-115 ◽

Cited By ~ 3

Author(s):

Peter Mager ◽

Anje Weber ◽

Peter Illes

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Cation Permeability

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Three-Dimensional Quantitative Structure–Activity Relationship Analysis for Human Pregnane X Receptor for the Prediction of CYP3A4 Induction in Human Hepatocytes: Structure-Based Comparative Molecular Field Analysis

Journal of Pharmaceutical Sciences ◽

10.1002/jps.24235 ◽

2015 ◽

Vol 104 (1) ◽

pp. 223-232 ◽

Cited By ~ 7

Author(s):

Koichi Handa ◽

Izumi Nakagome ◽

Noriyuki Yamaotsu ◽

Hiroaki Gouda ◽

Shuichi Hirono

Keyword(s):

Three Dimensional ◽

Pregnane X Receptor ◽

Quantitative Structure Activity Relationship ◽

Human Hepatocytes ◽

Field Analysis ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Cyp3a4 Induction

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Quantitative Structure-Activity Relationship Analysis of the Substituent Effects on the Binding Affinity of Derivatives of Trimetazidine

Arzneimittelforschung ◽

10.1055/s-0031-1296930 ◽

2011 ◽

Vol 54 (01) ◽

pp. 9-14

Author(s):

Svetoslav Slavov ◽

Maria Djunlieva ◽

Sonia Ilieva ◽

Boris Galabov

Keyword(s):

Binding Affinity ◽

Substituent Effects ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Derivatives Of

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