Discriminatory analysis based molecular docking study for in silico identification of epigallocatechin-3-gallate (EGCG) derivatives as B-RafV600E inhibitors

EGCG inhibited bladder cancer SW780 cell proliferation and migration both in vitro and in vivo via down-regulation of NF-κB and MMP-9

(2017) Ke-Wang Luo et al.   JOURNAL OF NUTRITIONAL BIOCHEMISTRY

Integration of pharmacophore mapping and molecular docking in sequential virtual screening: towards the discovery of novel JAK2 inhibitors

(2017) Ting-Ting Yao et al.   RSC Advances

Computational Tool for Fast in silico Evaluation of hERG K+ Channel Affinity

(2017) Giulia Chemi et al.   Frontiers in Chemistry

Encorafenib (LGX818), a potent BRAF inhibitor, induces senescence accompanied by autophagy in BRAFV600E melanoma cells

(2016) Zhen Li et al.   CANCER LETTERS

Inhibition of green tea polyphenol EGCG((−)-epigallocatechin-3-gallate) on the proliferation of gastric cancer cells by suppressing canonical wnt/β-catenin signalling pathway

(2016) Chenggang Yang et al.   INTERNATIONAL JOURNAL OF FOOD SCIENCES AND NUTRITION

Boosting Docking-Based Virtual Screening with Deep Learning

(2016) Janaina Cruz Pereira et al.   Journal of Chemical Information and Modeling

Green tea EGCG, T-cell function, and T-cell-mediated autoimmune encephalomyelitis

(2016) Dayong Wu   JOURNAL OF INVESTIGATIVE MEDICINE

Structure-based virtual screening, molecular docking, ADMET and molecular simulations to develop benzoxaborole analogs as potential inhibitor against Leishmania donovani trypanothione reductase

(2016) Rajan Kumar Pandey et al.   JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

EGCG/gelatin-doxorubicin gold nanoparticles enhance therapeutic efficacy of doxorubicin for prostate cancer treatment

(2016) Li-Chu Tsai et al.   Nanomedicine

Green tea compound epigallo-catechin-3-gallate (EGCG) increases neuronal survival in adult hippocampal neurogenesis in vivo and in vitro

(2016) L. Ortiz-López et al.   NEUROSCIENCE

The design, synthesis and biological evaluation of pro-EGCG derivatives as novel anti-vitiligo agents

(2016) Siyu Wang et al.   RSC Advances

Repositioning organohalogen drugs: a case study for identification of potent B-Raf V600E inhibitors via docking and bioassay

(2016) Yisu Li et al.   Scientific Reports

Structural Investigation of B-Raf Paradox Breaker and Inducer Inhibitors

(2015) Rohit Arora et al.   JOURNAL OF MEDICINAL CHEMISTRY

BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers

(2015) Z. Tang et al.   MOLECULAR CANCER THERAPEUTICS

RAF inhibitors that evade paradoxical MAPK pathway activation

(2015) Chao Zhang et al.   NATURE

The broad-spectrum receptor tyrosine kinase inhibitor dovitinib suppresses growth ofBRAF-mutant melanoma cells in combination with other signaling pathway inhibitors

(2015) Casey G. Langdon et al.   Pigment Cell & Melanoma Research

Support vector machine (SVM) classification model based rational design of novel tetronic acid derivatives as potent insecticidal and acaricidal agents

(2015) Ting-Ting Yao et al.   RSC Advances

Integrating docking scores, interaction profiles and molecular descriptors to improve the accuracy of molecular docking: Toward the discovery of novel Akt1 inhibitors

(2014) Wenhu Zhan et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

67-kDa Laminin Receptor-dependent Protein Phosphatase 2A (PP2A) Activation Elicits Melanoma-specific Antitumor Activity Overcoming Drug Resistance

(2014) Shuntaro Tsukamoto et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

BRAF inhibitor–associated ERK activation drives development of chronic lymphocytic leukemia

(2014) Niuscha Yaktapour et al.   JOURNAL OF CLINICAL INVESTIGATION

Identification and Optimization of New Dual Inhibitors of B-Raf and Epidermal Growth Factor Receptor Kinases for Overcoming Resistance against Vemurafenib

(2014) Huimin Cheng et al.   JOURNAL OF MEDICINAL CHEMISTRY

BRAF inhibitors: From the laboratory to clinical trials

(2013) M.A. Rahman et al.   CRITICAL REVIEWS IN ONCOLOGY HEMATOLOGY

Structure-based drug design using GPCR homology modeling: Toward the discovery of novel selective CysLT2 antagonists

(2013) Xiaowu Dong et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Discovery and Optimization of a Novel Series of Potent Mutant B-RafV600E Selective Kinase Inhibitors

(2013) Melissa M. Vasbinder et al.   JOURNAL OF MEDICINAL CHEMISTRY

Analysis of Dermatologic Events in Vemurafenib-Treated Patients With Melanoma

(2013) M. E. Lacouture et al.   ONCOLOGIST

The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-RafV600E kinase

(2012) Li Ren et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Potent and Selective Aminopyrimidine-Based B-Raf Inhibitors with Favorable Physicochemical and Pharmacokinetic Properties

(2012) Simon Mathieu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Pharmacophore identification, virtual screening and biological evaluation of prenylated flavonoids derivatives as PKB/Akt1 inhibitors

(2011) Xiaowu Dong et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Recent Advances in the Research and Development of B-Raf Inhibitors

(2010) Hui-Fang Li et al.   CURRENT MEDICINAL CHEMISTRY

Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma

(2010) Gideon Bollag et al.   NATURE

Predicting cytotoxicity from heterogeneous data sources with Bayesian learning

(2010) Sarah R Langdon et al.   Journal of Cheminformatics

QSAR study of Akt/protein kinase B (PKB) inhibitors using support vector machine

(2009) Xiaowu Dong et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY