Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations

Molecular interactions of UvrB protein and DNA from Helicobacter pylori : Insight into a molecular modeling approach

(2016) Rohit Bavi et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Pharmacophore modeling, virtual screening, molecular docking studies and density functional theory approaches to identify novel ketohexokinase (KHK) inhibitors

(2015) Rengarajan Kavitha et al.   BIOSYSTEMS

Insights on Structural Characteristics and Ligand Binding Mechanisms of CDK2

(2015) Yan Li et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Anchor-based classification and type-C inhibitors for tyrosine kinases

(2015) Kai-Cheng Hsu et al.   Scientific Reports

Synthesis and in vivo SAR study of indolin-2-one-based multi-targeted inhibitors as potential anticancer agents

(2014) Long Zhang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

In Silico Discovery of Potential VEGFR-2 Inhibitors from Natural Derivatives for Anti-Angiogenesis Therapy

(2014) Jing Li et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

In Silico Design and Biological Evaluation of a Dual Specificity Kinase Inhibitor Targeting Cell Cycle Progression and Angiogenesis

(2014) Antony M. Latham et al.   PLoS One

Identification of novel tyrosine kinase inhibitors for drug resistant T315I mutant BCR-ABL: a virtual screening and molecular dynamics simulations study

(2014) Hemanth Naick Banavath et al.   Scientific Reports

Regulation of the pentose phosphate pathway in cancer

(2014) Peng Jiang et al.   Protein & Cell

Cyclin-dependent kinases

(2014) Marcos Malumbres   GENOME BIOLOGY

Novel VEGFR-2 kinase inhibitors identified by the back-to-front approach

(2013) Kingkan Sanphanya et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

An Integrated Virtual Screening Approach for VEGFR-2 Inhibitors

(2013) Yanmin Zhang et al.   Journal of Chemical Information and Modeling

In silicoevaluation for the potential naturally available drugs for breast cancer

(2013) Shailima R. D. Vardhini   JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors

(2013) Sunil Kumar Tripathi et al.   JOURNAL OF THEORETICAL BIOLOGY

Signal Transduction by Vascular Endothelial Growth Factor Receptors

(2013) S. Koch et al.   Cold Spring Harbor Perspectives in Medicine

Radioiodinated sunitinib as a potential radiotracer for imaging angiogenesis—radiosynthesis and first radiopharmacological evaluation of 5-[125I]Iodo-sunitinib

(2012) Manuela Kuchar et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Synthesis, in silico, in vitro, and in vivo investigation of 5-[11C]methoxy-substituted sunitinib, a tyrosine kinase inhibitor of VEGFR-2

(2012) Julio Caballero et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases

(2012) Hidehisa Iwata et al.   ACS Medicinal Chemistry Letters

The Evolution of Protein Kinase Inhibitors from Antagonists to Agonists of Cellular Signaling

(2011) Arvin C. Dar et al.   Annual Review of Biochemistry

Biochemical characterization of a novel type-II VEGFR2 kinase inhibitor: Comparison of binding to non-phosphorylated and phosphorylated VEGFR2

(2011) Hidehisa Iwata et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Investigation of a novel molecular descriptor for the lead optimization of 4-aminoquinazolines as vascular endothelial growth factor receptor-2 inhibitors: Application for quantitative structure–activity relationship analysis in lead optimization

(2011) Joel K. Kawakami et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

KDR inhibitor with the intramolecular non-bonded interaction: Conformation–activity relationships of novel indole-3-carboxamide derivatives

(2011) Takahiro Honda et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

SwissParam: A fast force field generation tool for small organic molecules

(2011) Vincent Zoete et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Recent developments and applications of the CHARMM force fields

(2011) Xiao Zhu et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Differential Effects of VEGFR-1 and VEGFR-2 Inhibition on Tumor Metastases Based on Host Organ Environment

(2010) Y.-J. Lee et al.   CANCER RESEARCH

3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors

(2010) Sugunadevi Sakkiah et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Molecular Mediators of Angiogenesis

(2010) Areck A. Ucuzian et al.   Journal of Burn Care & Research

Discovery ofN-Phenyl-4-(thiazol-5-yl)pyrimidin-2-amine Aurora Kinase Inhibitors

(2010) Shudong Wang et al.   JOURNAL OF MEDICINAL CHEMISTRY

The (un)targeted cancer kinome

(2010) Oleg Fedorov et al.   Nature Chemical Biology

PocketMatch: A new algorithm to compare binding sites in protein structures

(2009) Kalidas Yeturu et al.   BMC BIOINFORMATICS

Evaluation of indazole-based compounds as a new class of potent KDR/VEGFR-2 inhibitors

(2008) David Bauer et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Kinase array design, back to front: Biaryl amides

(2008) Ian Baldwin et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

3,4-Disubstituted isothiazoles: Novel potent inhibitors of VEGF receptors 1 and 2

(2008) Alexander S. Kiselyov et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

G1 to S phase cell cycle transition in somatic and embryonic stem cells

(2008) Irina Neganova et al.   JOURNAL OF ANATOMY