4.4 Article

Structure-based identification of potent VEGFR-2 inhibitors from in vivo metabolites of a herbal ingredient

Related references

Note: Only part of the references are listed.
Article Biochemical Research Methods

Structural dynamics and quantum mechanical aspects of shikonin derivatives as CREBBP bromodomain inhibitors

Sarmistha Mitra et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2018)

Article Integrative & Complementary Medicine

Molecular docking studies of (4Z, 12Z)-cyclopentadeca-4, 12-dienone from Grewia hirsuta with some targets related to type 2 diabetes

Abirami Natarajan et al.

BMC COMPLEMENTARY AND ALTERNATIVE MEDICINE (2015)

Article Chemistry, Multidisciplinary

New Ways to Boost Molecular Dynamics Simulations

Elmar Krieger et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)

Article Chemistry, Physical

Lipid14: The Amber Lipid Force Field

Callum J. Dickson et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Chemistry, Multidisciplinary

HIM-herbal ingredients in-vivo metabolism database

Hong Kang et al.

JOURNAL OF CHEMINFORMATICS (2013)

Article Biotechnology & Applied Microbiology

In Silico Screening and Molecular Dynamics Simulation of Disease-Associated nsSNP in TYRP1 Gene and Its Structural Consequences in OCA3

Balu Kamaraj et al.

BIOMED RESEARCH INTERNATIONAL (2013)

Review Chemistry, Medicinal

Development and strategies of VEGFR-2/KDR inhibitors

Lingyi Huang et al.

FUTURE MEDICINAL CHEMISTRY (2012)

Article Biochemistry & Molecular Biology

The VSGB 2.0 model: A next generation energy model for high resolution protein structure modeling

Jianing Li et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2011)

Review Peripheral Vascular Disease

Anti-angiogenic tyrosine kinase inhibitors: what is their mechanism of action?

Kristy J. Gotink et al.

ANGIOGENESIS (2010)

Article Biochemistry & Molecular Biology

Non-ATP Competitive Protein Kinase Inhibitors

L. Garuti et al.

CURRENT MEDICINAL CHEMISTRY (2010)

Article Biochemical Research Methods

Mechanism of MicroRNA-Target Interaction: Molecular Dynamics Simulations and Thermodynamics Analysis

Yonghua Wang et al.

PLOS COMPUTATIONAL BIOLOGY (2010)

Review Oncology

Targeting the tumour vasculature: insights from physiological angiogenesis

Alicia S. Chung et al.

NATURE REVIEWS CANCER (2010)

Review Oncology

Perspectives for Cancer Prevention With Natural Compounds

A. R. M. Ruhul Amin et al.

JOURNAL OF CLINICAL ONCOLOGY (2009)

Editorial Material Chemistry, Medicinal

Knowledge based prediction of ligand binding modes and rational inhibitor design for kinase drug discovery

Arup K. Ghose et al.

JOURNAL OF MEDICINAL CHEMISTRY (2008)

Article Oncology

Inhibition of Cell Growth and VEGF Expression in Ovarian Cancer Cells by Flavonoids

Haitao Luo et al.

NUTRITION AND CANCER-AN INTERNATIONAL JOURNAL (2008)

Article Biochemistry & Molecular Biology

Epik:: a software program for pK a prediction and protonation state generation for drug-like molecules

John C. Shelley et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2007)

Review Oncology

Mechanisms of adverse effects of anti-VEGF therapy for cancer

T. Kamba et al.

BRITISH JOURNAL OF CANCER (2007)

Review Biotechnology & Applied Microbiology

Molecular basis for sunitinib efficacy and future clinical development

Sandrine Faivre et al.

NATURE REVIEWS DRUG DISCOVERY (2007)

Article Biochemical Research Methods

Fast empirical pKa prediction by Ewald summation

Elmar Krieger et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2006)

Article Multidisciplinary Sciences

Surface comparison of active and inactive protein kinases identifies a conserved activation mechanism

Alexandr P. Kornev et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)

Article Chemistry, Medicinal

Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

Richard A. Friesner et al.

JOURNAL OF MEDICINAL CHEMISTRY (2006)

Article Biochemistry & Molecular Biology

Peptide inhibitors of protein kinases - discovery, characterisation and use

MA Bogoyevitch et al.

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2005)

Review Chemistry, Multidisciplinary

Integrated modeling program, applied chemical theory (IMPACT)

JL Banks et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)

Article Biochemistry & Molecular Biology

Mechanistic and structural analysis of a family 31 α-glycosidase and its glycosyl-enzyme intermediate

AL Lovering et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2005)

Review Pharmacology & Pharmacy

Predictive in silico modeling for hERG channelblockers

MM Aronov

DRUG DISCOVERY TODAY (2005)

Review Multidisciplinary Sciences

Protein kinase inhibitors: Insights into drug design from structure

MEM Noble et al.

SCIENCE (2004)

Article Biochemistry & Molecular Biology

Kinomics-structural biology and chemogenomics of kinase inhibitors and targets

M Vieth et al.

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2004)

Article Chemistry, Multidisciplinary

Development and testing of a general amber force field

JM Wang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Cell Biology

VEGF guides angiogenic sprouting utilizing endothelial tip cell filopodia

H Gerhardt et al.

JOURNAL OF CELL BIOLOGY (2003)

Article Chemistry, Multidisciplinary

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

A Jakalian et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)

Article Biochemistry & Molecular Biology

Increasing the precision of comparative models with YASARA NOVA - a self-parameterizing force field

E Krieger et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2002)

Review Pharmacology & Pharmacy

Prediction of drug solubility from structure

WL Jorgensen et al.

ADVANCED DRUG DELIVERY REVIEWS (2002)

Review Food Science & Technology

By-products of plant food processing as a source of functional compounds - recent developments

A Schieber et al.

TRENDS IN FOOD SCIENCE & TECHNOLOGY (2001)

Review Pharmacology & Pharmacy

Organising evidence on QT prolongation and occurrence of Torsades de Pointes with non-antiarrhythmic drugs:: A call for consensus

F De Ponti et al.

EUROPEAN JOURNAL OF CLINICAL PHARMACOLOGY (2001)

Review Pharmacology & Pharmacy

HERG K+ channels: friend and foe

JI Vandenberg et al.

TRENDS IN PHARMACOLOGICAL SCIENCES (2001)

Article Chemistry, Medicinal

Prediction of drug solubility from Monte Carlo simulations

WL Jorgensen et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2000)

Article Chemistry, Multidisciplinary

Prediction of properties from simulations: Free energies of solvation in hexadecane, octanol, and water

EM Duffy et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)

Article Biochemistry & Molecular Biology

The Protein Data Bank

HM Berman et al.

NUCLEIC ACIDS RESEARCH (2000)