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Comparative molecular modeling of Anopheles gambiae CYP6Z1, a mosquito P450 capable of metabolizing DDT

Proceedings of the National Academy of Sciences - PNAS, 2008-07, Vol.105 (26), p.8855-8860

2008

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Helicoverpa zea CYP6B8 and CYP321A1: different molecular solutions to the problem of metabolizing plant toxins and insecticides

Protein engineering, design and selection, 2007-12, Vol.20 (12), p.615-624

2007

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Methemoglobin Formation and Characterization of Hemoglobin Adducts of Carcinogenic Aromatic Amines and Heterocyclic Aromatic Amines

Chemical research in toxicology, 2016-03, Vol.29 (3), p.255-269

2016

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Development of a New Pharmacophore Model That Discriminates Active Compstatin Analogs

Chemical biology & drug design, 2008-10, Vol.72 (4), p.249-256

2008

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Development of a Comprehensive, Validated Pharmacophore Hypothesis for Anthrax Toxin Lethal Factor (LF) Inhibitors Using Genetic Algorithms, Pareto Scoring, and Structural Biology

Journal of chemical information and modeling, 2012-07, Vol.52 (7), p.1886-1897

2012

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An Innovative High-Throughput Screening Approach for Discovery of Small Molecules That Inhibit TNF Receptors

SLAS discovery, 2017-09, Vol.22 (8), p.950-961

2017

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Probing the S2′ Subsite of the Anthrax Toxin Lethal Factor Using Novel N‑Alkylated Hydroxamates

Journal of medicinal chemistry, 2015-11, Vol.58 (21), p.8723-8733

2015

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Identification of novel anthrax toxin countermeasures using in silico methods

Methods in molecular biology (Clifton, N.J.), 2013, Vol.993, p.177

2013

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Identification of Novel Non-Hydroxamate Anthrax Toxin Lethal Factor Inhibitors by Topomeric Searching, Docking and Scoring, and in Vitro Screening

Journal of chemical information and modeling, 2009-12, Vol.49 (12), p.2726-2734

2009

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How to generate improved potentials for protein tertiary structure prediction: A lattice model study

Proteins, structure, function, and bioinformatics, 2000-11, Vol.41 (2), p.157-163

2000

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Development of Neural Network QSPR Models for Hansch Substituent Constants. 2. Applications in QSAR Studies of HIV-1 Reverse Transcriptase and Dihydrofolate Reductase Inhibitors

Journal of Chemical Information and Computer Sciences, 2004-01, Vol.44 (1), p.154-160

2004

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Total Synthesis and Evaluation of C26-Hydroxyepothilone D Derivatives for Photoaffinity Labeling of β-Tubulin

Journal of organic chemistry, 2010-01, Vol.75 (1), p.86-94

2010

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Total synthesis and evaluation of C25-benzyloxyepothilone C for tubulin assembly and cytotoxicity against MCF-7 breast cancer cells

Bioorganic & medicinal chemistry letters, 2008-09, Vol.18 (17), p.4904-4906

2008

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Total synthesis and evaluation of 22-(3-azidobenzoyloxy)methyl epothilone C for photoaffinity labeling of β-tubulin

Bioorganic & medicinal chemistry letters, 2009-06, Vol.19 (12), p.3293-3296

2009

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Development of Neural Network QSPR Models for Hansch Substituent Constants. 1. Method and Validations

Journal of Chemical Information and Computer Sciences, 2004-01, Vol.44 (1), p.147-153

2004

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Design, synthesis and evaluation of analogs of initiation factor 4E (eIF4E) cap-binding antagonist Bn 7-GMP

European journal of medicinal chemistry, 2010-04, Vol.45 (4), p.1304-1313

2010

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Inhibition of Tumor Necrosis Factor Receptor 1 Signaling by Small Molecules

The FASEB journal, 2017-04, Vol.31 (S1)

2017

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Compaction and folding in model proteins

The Journal of chemical physics, 1997-09, Vol.107 (11), p.4408-4415

1997

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Genetic Neural Networks for Functional Approximation

QSAR & combinatorial science, 2003-07, Vol.22 (5), p.519-526

2003

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Probing the S2;#8242; Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates

Journal of medicinal chemistry, 2016-07, Vol.58 ((21) ; 11, 2015)

2016

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Abstract 44: Hexyl-benzyl-biguanide (HBB) potently and selectively inhibits CYP3A4 epoxygenase activity and inhibits EET stabilization of mitochondrial respiration in ER+HER2- breast cancer cells, inducing glycolysis and pyruvate biosynthesis

Cancer research (Chicago, Ill.), 2016-07, Vol.76 (14_Supplement), p.44-44

2016

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Optimizing energy potentials for success in protein tertiary structure prediction

Folding & design, 1998-01, Vol.3 (3), p.223-228

1998

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Comparative molecular modeling of Anopheles gambiae CYP6Z1, a mosquito P450 capable of metabolizing DDT

Helicoverpa zea CYP6B8 and CYP321A1: different molecular solutions to the problem of metabolizing plant toxins and insecticides

Methemoglobin Formation and Characterization of Hemoglobin Adducts of Carcinogenic Aromatic Amines and Heterocyclic Aromatic Amines

Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria

Development of a New Pharmacophore Model That Discriminates Active Compstatin Analogs

Development of a Comprehensive, Validated Pharmacophore Hypothesis for Anthrax Toxin Lethal Factor (LF) Inhibitors Using Genetic Algorithms, Pareto Scoring, and Structural Biology

An Innovative High-Throughput Screening Approach for Discovery of Small Molecules That Inhibit TNF Receptors

Probing the S2′ Subsite of the Anthrax Toxin Lethal Factor Using Novel N‑Alkylated Hydroxamates

Identification of novel anthrax toxin countermeasures using in silico methods

Identification of Novel Non-Hydroxamate Anthrax Toxin Lethal Factor Inhibitors by Topomeric Searching, Docking and Scoring, and in Vitro Screening

How to generate improved potentials for protein tertiary structure prediction: A lattice model study

Development of Neural Network QSPR Models for Hansch Substituent Constants. 2. Applications in QSAR Studies of HIV-1 Reverse Transcriptase and Dihydrofolate Reductase Inhibitors

Total Synthesis and Evaluation of C26-Hydroxyepothilone D Derivatives for Photoaffinity Labeling of β-Tubulin

Total synthesis and evaluation of C25-benzyloxyepothilone C for tubulin assembly and cytotoxicity against MCF-7 breast cancer cells

Total synthesis and evaluation of 22-(3-azidobenzoyloxy)methyl epothilone C for photoaffinity labeling of β-tubulin

Development of Neural Network QSPR Models for Hansch Substituent Constants. 1. Method and Validations

Design, synthesis and evaluation of analogs of initiation factor 4E (eIF4E) cap-binding antagonist Bn 7-GMP

Inhibition of Tumor Necrosis Factor Receptor 1 Signaling by Small Molecules

Compaction and folding in model proteins

Genetic Neural Networks for Functional Approximation

Probing the S2;#8242; Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates

Abstract 44: Hexyl-benzyl-biguanide (HBB) potently and selectively inhibits CYP3A4 epoxygenase activity and inhibits EET stabilization of mitochondrial respiration in ER+HER2- breast cancer cells, inducing glycolysis and pyruvate biosynthesis

Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria

Optimizing energy potentials for success in protein tertiary structure prediction

Abstract 3568: CYP3A4 epoxygenase activity mediates ER+ mammary tumor growth and angiogenesis, in part, through EET biosynthesis and is inhibited by biguanides

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