Computational aided mechanistic understanding of Camellia sinensis bioactive compounds against co-chaperone p23 as potential anticancer agent

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

NovelN-allyl/propargyl tetrahydroquinolines: Synthesis via Three-component Cationic Imino Diels-Alder Reaction, Binding Prediction, and Evaluation as Cholinesterase Inhibitors

(2016) Yeray A. Rodríguez et al.   Chemical Biology & Drug Design

Cancer Preventive Activities of Tea Catechins

(2016) Chung Yang et al.   MOLECULES

Ailanthone targets p23 to overcome MDV3100 resistance in castration-resistant prostate cancer

(2016) Yundong He et al.   Nature Communications

Molecular modelling of human 5-hydroxytryptamine receptor (5-HT2A) and virtual screening studies towards the identification of agonist and antagonist molecules

(2015) A. Gandhimathi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

PLIP: fully automated protein–ligand interaction profiler

(2015) Sebastian Salentin et al.   NUCLEIC ACIDS RESEARCH

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA

(2015) Karel Mena-Ulecia et al.   PLoS One

Stabilization of Microtubules by Taxane Diterpenoids: Insight from Docking and MD simulations

(2014) Umesh Yadava et al.   JOURNAL OF BIOLOGICAL PHYSICS

The RCSB Protein Data Bank: views of structural biology for basic and applied research and education

(2014) Peter W. Rose et al.   NUCLEIC ACIDS RESEARCH

Gedunin Inactivates the Co-chaperone p23 Protein Causing Cancer Cell Death by Apoptosis

(2013) Chaitanya A. Patwardhan et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

miRNA mediated up-regulation of cochaperone p23 acts as an anti-apoptotic factor in childhood acute lymphoblastic leukemia

(2012) Xiao Liu et al.   LEUKEMIA RESEARCH

Role of the HSP90-Associated Cochaperone p23 in Enhancing Activity of the Androgen Receptor and Significance for Prostate Cancer

(2012) Vikash Reebye et al.   MOLECULAR ENDOCRINOLOGY

Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation

(2011) Juan Du et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

iScreen: world’s first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan

(2011) Tsung-Ying Tsai et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A comparison of crystallographic and DFT optimized geometries on two taxane diterpenoids and docking studies with phospholipase A2

(2011) Umesh Yadava et al.   MEDICINAL CHEMISTRY RESEARCH

TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico

(2011) Calvin Yu-Chian Chen   PLoS One

Probing theα-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis

(2010) Zuojun Guo et al.   Chemical Biology & Drug Design

Optimized Hydrophobic Interactions and Hydrogen Bonding at the Target-Ligand Interface Leads the Pathways of Drug-Designing

(2010) Rohan Patil et al.   PLoS One

Gene expression-based classification and regulatory networks of pediatric acute lymphoblastic leukemia

(2009) Z. Li et al.   BLOOD

Introducing Nanochemoprevention as a Novel Approach for Cancer Control: Proof of Principle with Green Tea Polyphenol Epigallocatechin-3-Gallate

(2009) I. A. Siddiqui et al.   CANCER RESEARCH

The telomerase template antagonist GRN163L alters MDA-MB-231 breast cancer cell morphology, inhibits growth, and augments the effects of paclitaxel

(2009) E. M. Goldblatt et al.   MOLECULAR CANCER THERAPEUTICS

p23/Sba1p Protects against Hsp90 Inhibitors Independently of Its Intrinsic Chaperone Activity

(2008) F. Forafonov et al.   MOLECULAR AND CELLULAR BIOLOGY