Published in J Med Chem on June 05, 2003
Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors. PLoS Comput Biol (2009) 2.84
Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go. Br J Pharmacol (2007) 2.13
Structure-based virtual screening for drug discovery: a problem-centric review. AAPS J (2012) 1.68
Masitinib (AB1010), a potent and selective tyrosine kinase inhibitor targeting KIT. PLoS One (2009) 1.55
Advances and challenges in protein-ligand docking. Int J Mol Sci (2010) 1.54
Variability in docking success rates due to dataset preparation. J Comput Aided Mol Des (2012) 1.54
A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking. Bioinformatics (2010) 1.48
Decoys for docking. J Med Chem (2005) 1.43
CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions. J Chem Inf Model (2011) 1.42
Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking. J Comput Chem (2010) 1.41
In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulators. PLoS Comput Biol (2007) 1.40
MedusaScore: an accurate force field-based scoring function for virtual drug screening. J Chem Inf Model (2008) 1.37
Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets. J Chem Inf Model (2007) 1.29
Assessment of programs for ligand binding affinity prediction. J Comput Chem (2008) 1.23
Validation of molecular docking programs for virtual screening against dihydropteroate synthase. J Chem Inf Model (2009) 1.19
Limits of Free Energy Computation for Protein-Ligand Interactions. J Chem Theory Comput (2010) 1.18
High-performance drug discovery: computational screening by combining docking and molecular dynamics simulations. PLoS Comput Biol (2009) 1.18
Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise. J Chem Inf Model (2013) 1.16
Clinically used antirheumatic agent auranofin is a proteasomal deubiquitinase inhibitor and inhibits tumor growth. Oncotarget (2014) 1.08
Novel human mPGES-1 inhibitors identified through structure-based virtual screening. Bioorg Med Chem (2011) 1.05
Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces. J Med Chem (2006) 1.05
Virtual screening using molecular simulations. Proteins (2011) 1.05
Antcin A, a steroid-like compound from Antrodia camphorata, exerts anti-inflammatory effect via mimicking glucocorticoids. Acta Pharmacol Sin (2011) 1.03
Further analysis and comparative study of intermolecular interactions using dimers from the S22 database. J Chem Phys (2009) 1.01
Conformationally restricted dipeptide amides as potent and selective neuronal nitric oxide synthase inhibitors. J Med Chem (2006) 0.99
A flexible docking scheme to explore the binding selectivity of PDZ domains. Protein Sci (2010) 0.98
Inhibition of bacterial virulence: drug-like molecules targeting the Salmonella enterica PhoP response regulator. Chem Biol Drug Des (2012) 0.98
G protein betagamma subunits as targets for small molecule therapeutic development. Comb Chem High Throughput Screen (2008) 0.98
Docking, virtual high throughput screening and in silico fragment-based drug design. J Cell Mol Med (2009) 0.98
Importance of ligand reorganization free energy in protein-ligand binding-affinity prediction. J Am Chem Soc (2009) 0.96
Scoring and lessons learned with the CSAR benchmark using an improved iterative knowledge-based scoring function. J Chem Inf Model (2011) 0.96
Statistical potential for modeling and ranking of protein-ligand interactions. J Chem Inf Model (2011) 0.95
Docking of phosphonate and trehalose analog inhibitors into M. tuberculosis mycolyltransferase Ag85C: Comparison of the two scoring fitness functions GoldScore and ChemScore, in the GOLD software. Bioinformation (2007) 0.94
Protonation and pK changes in protein-ligand binding. Q Rev Biophys (2013) 0.94
Gli1/DNA interaction is a druggable target for Hedgehog-dependent tumors. EMBO J (2014) 0.94
Discovery of selective inhibitors against EBNA1 via high throughput in silico virtual screening. PLoS One (2010) 0.94
Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem (2010) 0.93
Can we use docking and scoring for hit-to-lead optimization? J Comput Aided Mol Des (2008) 0.93
Understanding lignin-degrading reactions of ligninolytic enzymes: binding affinity and interactional profile. PLoS One (2011) 0.92
Elimination of endogenous toxin, creatinine from blood plasma depends on albumin conformation: site specific uremic toxicity & impaired drug binding. PLoS One (2011) 0.92
Inclusion of solvation and entropy in the knowledge-based scoring function for protein-ligand interactions. J Chem Inf Model (2010) 0.92
Development of a novel virtual screening cascade protocol to identify potential trypanothione reductase inhibitors. J Med Chem (2009) 0.91
Ligand discovery and virtual screening using the program LIDAEUS. Br J Pharmacol (2007) 0.89
A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction. BMC Bioinformatics (2010) 0.89
Calculations of protein-ligand binding entropy of relative and overall molecular motions. J Comput Aided Mol Des (2007) 0.88
Identification of BRAF inhibitors through in silico screening. J Med Chem (2008) 0.88
A new peptide docking strategy using a mean field technique with mutually orthogonal Latin square sampling. J Comput Aided Mol Des (2008) 0.88
PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements. J Chem Inf Model (2011) 0.87
VoteDock: consensus docking method for prediction of protein-ligand interactions. J Comput Chem (2010) 0.87
Robust scoring functions for protein-ligand interactions with quantum chemical charge models. J Chem Inf Model (2011) 0.86
Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening. J Comput Aided Mol Des (2008) 0.86
An interaction-motif-based scoring function for protein-ligand docking. BMC Bioinformatics (2010) 0.85
Evaluation of an inverse molecular design algorithm in a model binding site. Proteins (2009) 0.85
idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach. Nucleic Acids Res (2012) 0.85
Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening. J Med Chem (2008) 0.85
Computational insights for the discovery of non-ATP competitive inhibitors of MAP kinases. Curr Pharm Des (2012) 0.85
Computational insights into the inhibitory mechanism of human AKT1 by an orally active inhibitor, MK-2206. PLoS One (2014) 0.84
FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection. BMC Genomics (2011) 0.84
Construction and test of ligand decoy sets using MDock: community structure-activity resource benchmarks for binding mode prediction. J Chem Inf Model (2011) 0.84
Application of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1). PLoS One (2012) 0.84
Binding affinity prediction with property-encoded shape distribution signatures. J Chem Inf Model (2010) 0.84
Structure-based functional design of drugs: from target to lead compound. Methods Mol Biol (2012) 0.84
Molecular modeling on pyruvate phosphate dikinase of Entamoeba histolytica and in silico virtual screening for novel inhibitors. J Comput Aided Mol Des (2007) 0.84
Insight into ligand selectivity in HCV NS5B polymerase: molecular dynamics simulations, free energy decomposition and docking. J Mol Model (2009) 0.83
Cheminformatics meets molecular mechanics: a combined application of knowledge-based pose scoring and physical force field-based hit scoring functions improves the accuracy of structure-based virtual screening. J Chem Inf Model (2011) 0.83
Leveraging structure for enzyme function prediction: methods, opportunities, and challenges. Trends Biochem Sci (2014) 0.83
A fast protein-ligand docking algorithm based on hydrogen bond matching and surface shape complementarity. J Mol Model (2009) 0.83
Scoring confidence index: statistical evaluation of ligand binding mode predictions. J Comput Aided Mol Des (2009) 0.83
Structure-based drug design and AutoDock study of potential protein tyrosine kinase inhibitors. Bioinformation (2011) 0.82
Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines. PLoS One (2014) 0.82
Protein Alpha Shape (PAS) Dock: a new gaussian-based score function suitable for docking in homology modelled protein structures. J Comput Aided Mol Des (2006) 0.82
A generalized knowledge-based discriminatory function for biomolecular interactions. Proteins (2009) 0.82
A critical assessment of the performance of protein-ligand scoring functions based on NMR chemical shift perturbations. J Med Chem (2007) 0.82
TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear time. J Comput Aided Mol Des (2007) 0.81
Application of docking-based comparative intermolecular contacts analysis to validate Hsp90α docking studies and subsequent in silico screening for inhibitors. J Mol Model (2012) 0.81
Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agent. Sci Rep (2013) 0.81
DrugScorePPI knowledge-based potentials used as scoring and objective function in protein-protein docking. PLoS One (2014) 0.81
A Mixed QM/MM Scoring Function to Predict Protein-Ligand Binding Affinity. J Chem Theory Comput (2010) 0.81
Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling. Mol Inform (2013) 0.81
Ligand supported homology modeling and docking evaluation of CCR2: docked pose selection by consensus scoring. J Mol Model (2011) 0.80
Identifying the binding mode of a molecular scaffold. J Comput Aided Mol Des (2004) 0.80
Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism. PLoS One (2012) 0.80
Molecular Docking and Prediction of Pharmacokinetic Properties of Dual Mechanism Drugs that Block MAO-B and Adenosine A(2A) Receptors for the Treatment of Parkinson's Disease. J Young Pharm (2012) 0.80
Hydrogen bonding penalty upon ligand binding. PLoS One (2011) 0.80
Evaluation of different virtual screening programs for docking in a charged binding pocket. J Chem Inf Model (2008) 0.80
Anticancer compound plumbagin and its molecular targets: a structural insight into the inhibitory mechanisms using computational approaches. PLoS One (2014) 0.80
A D3R prospective evaluation of machine learning for protein-ligand scoring. J Comput Aided Mol Des (2016) 0.79
Discovery of potential drugs for human-infecting H7N9 virus containing R294K mutation. Drug Des Devel Ther (2014) 0.79
Ligand Identification Scoring Algorithm (LISA). J Chem Inf Model (2011) 0.79
Structure-based design of Aurora A & B inhibitors. J Comput Aided Mol Des (2008) 0.79
Antroquinonol Targets FAK-Signaling Pathway Suppressed Cell Migration, Invasion, and Tumor Growth of C6 Glioma. PLoS One (2015) 0.79
TSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features. BMC Genomics (2010) 0.79
Computer-assisted combinatorial design of bicyclic thymidine analogs as inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase. J Comput Aided Mol Des (2010) 0.79
Benchmarking methods and data sets for ligand enrichment assessment in virtual screening. Methods (2014) 0.79
FDA approved drugs complexed to their targets: evaluating pose prediction accuracy of docking protocols. J Mol Model (2012) 0.79
Receptor-ligand molecular docking. Biophys Rev (2013) 0.78
The use of docking-based comparative intermolecular contacts analysis to identify optimal docking conditions within glucokinase and to discover of new GK activators. J Comput Aided Mol Des (2014) 0.78
Charting a Path to Success in Virtual Screening. Molecules (2015) 0.78
Identification of Novel Aldose Reductase Inhibitors from Spices: A Molecular Docking and Simulation Study. PLoS One (2015) 0.78
The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures. J Med Chem (2004) 6.50
Further development and validation of empirical scoring functions for structure-based binding affinity prediction. J Comput Aided Mol Des (2002) 5.65
The PDBbind database: methodologies and updates. J Med Chem (2005) 5.53
Temporal activation of p53 by a specific MDM2 inhibitor is selectively toxic to tumors and leads to complete tumor growth inhibition. Proc Natl Acad Sci U S A (2008) 4.07
Endocrine-therapy-resistant ESR1 variants revealed by genomic characterization of breast-cancer-derived xenografts. Cell Rep (2013) 3.85
Small-molecule inhibitors of the MDM2-p53 protein-protein interaction to reactivate p53 function: a novel approach for cancer therapy. Annu Rev Pharmacol Toxicol (2009) 3.47
A low-molecular-weight compound discovered through virtual database screening inhibits Stat3 function in breast cancer cells. Proc Natl Acad Sci U S A (2005) 3.46
Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization. Anal Biochem (2004) 3.02
Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction. J Med Chem (2006) 2.95
Structure-based design of potent small-molecule inhibitors of anti-apoptotic Bcl-2 proteins. J Med Chem (2006) 2.35
Comprehensive biomarker and genomic analysis identifies p53 status as the major determinant of response to MDM2 inhibitors in chronic lymphocytic leukemia. Blood (2007) 2.16
Structure-based design of potent non-peptide MDM2 inhibitors. J Am Chem Soc (2005) 2.12
Targeting the MDM2-p53 interaction for cancer therapy. Clin Cancer Res (2008) 2.04
Yawning and hypothermia in rats: effects of dopamine D3 and D2 agonists and antagonists. Psychopharmacology (Berl) (2007) 1.94
SM-164: a novel, bivalent Smac mimetic that induces apoptosis and tumor regression by concurrent removal of the blockade of cIAP-1/2 and XIAP. Cancer Res (2008) 1.87
Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional herbal medicine three-dimensional structure database. J Med Chem (2004) 1.87
A novel BH3 mimetic reveals a mitogen-activated protein kinase-dependent mechanism of melanoma cell death controlled by p53 and reactive oxygen species. Cancer Res (2006) 1.85
An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes. J Chem Inf Comput Sci (2004) 1.80
Preclinical studies of TW-37, a new nonpeptidic small-molecule inhibitor of Bcl-2, in diffuse large cell lymphoma xenograft model reveal drug action on both Bcl-2 and Mcl-1. Clin Cancer Res (2007) 1.71
Reversal of cisplatin resistance with a BH3 mimetic, (-)-gossypol, in head and neck cancer cells: role of wild-type p53 and Bcl-xL. Mol Cancer Ther (2005) 1.70
Design, synthesis, and characterization of a potent, nonpeptide, cell-permeable, bivalent Smac mimetic that concurrently targets both the BIR2 and BIR3 domains in XIAP. J Am Chem Soc (2007) 1.70
A small molecule that disrupts Mdm2-p53 binding activates p53, induces apoptosis and sensitizes lung cancer cells to chemotherapy. Cancer Biol Ther (2008) 1.62
CSAR benchmark exercise of 2010: selection of the protein-ligand complexes. J Chem Inf Model (2011) 1.61
Structure-based design of potent, conformationally constrained Smac mimetics. J Am Chem Soc (2004) 1.60
Preclinical studies of a nonpeptidic small-molecule inhibitor of Bcl-2 and Bcl-X(L) [(-)-gossypol] against diffuse large cell lymphoma. Mol Cancer Ther (2005) 1.60
A potent and orally active antagonist (SM-406/AT-406) of multiple inhibitor of apoptosis proteins (IAPs) in clinical development for cancer treatment. J Med Chem (2011) 1.58
(alpha/beta+alpha)-peptide antagonists of BH3 domain/Bcl-x(L) recognition: toward general strategies for foldamer-based inhibition of protein-protein interactions. J Am Chem Soc (2007) 1.56
In vitro effects of the BH3 mimetic, (-)-gossypol, on head and neck squamous cell carcinoma cells. Clin Cancer Res (2004) 1.55
Targeting of AKT1 enhances radiation toxicity of human tumor cells by inhibiting DNA-PKcs-dependent DNA double-strand break repair. Mol Cancer Ther (2008) 1.55
(-)-gossypol inhibits growth and promotes apoptosis of human head and neck squamous cell carcinoma in vivo. Neoplasia (2006) 1.55
Molecular mechanism of gossypol-induced cell growth inhibition and cell death of HT-29 human colon carcinoma cells. Biochem Pharmacol (2003) 1.55
Design, synthesis, and evaluation of a potent, cell-permeable, conformationally constrained second mitochondria derived activator of caspase (Smac) mimetic. J Med Chem (2006) 1.49
(-)-Gossypol enhances response to radiation therapy and results in tumor regression of human prostate cancer. Mol Cancer Ther (2005) 1.46
(-)-Gossypol acts directly on the mitochondria to overcome Bcl-2- and Bcl-X(L)-mediated apoptosis resistance. Mol Cancer Ther (2005) 1.45
Blockage of epidermal growth factor receptor-phosphatidylinositol 3-kinase-AKT signaling increases radiosensitivity of K-RAS mutated human tumor cells in vitro by affecting DNA repair. Clin Cancer Res (2006) 1.43
CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions. J Chem Inf Model (2011) 1.42
Chimeric (alpha/beta + alpha)-peptide ligands for the BH3-recognition cleft of Bcl-XL: critical role of the molecular scaffold in protein surface recognition. J Am Chem Soc (2005) 1.39
Potent and orally active small-molecule inhibitors of the MDM2-p53 interaction. J Med Chem (2009) 1.34
Bcl-2 acts in a proangiogenic signaling pathway through nuclear factor-kappaB and CXC chemokines. Cancer Res (2005) 1.32
Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models. J Am Chem Soc (2007) 1.28
Antiangiogenic effect of TW37, a small-molecule inhibitor of Bcl-2. Cancer Res (2006) 1.27
Cardiac glycosides inhibit p53 synthesis by a mechanism relieved by Src or MAPK inhibition. Cancer Res (2009) 1.27
Multiple distinct molecular mechanisms influence sensitivity and resistance to MDM2 inhibitors in adult acute myelogenous leukemia. Blood (2010) 1.27
Preclinical studies of Apogossypolone: a new nonpeptidic pan small-molecule inhibitor of Bcl-2, Bcl-XL and Mcl-1 proteins in Follicular Small Cleaved Cell Lymphoma model. Mol Cancer (2008) 1.24
Design of small-molecule peptidic and nonpeptidic Smac mimetics. Acc Chem Res (2008) 1.24
Direct observation of the folding and unfolding of a beta-hairpin in explicit water through computer simulation. J Am Chem Soc (2002) 1.23
Reactivation of p53 by a specific MDM2 antagonist (MI-43) leads to p21-mediated cell cycle arrest and selective cell death in colon cancer. Mol Cancer Ther (2008) 1.22
Combined targeting of epidermal growth factor receptor, signal transducer and activator of transcription-3, and Bcl-X(L) enhances antitumor effects in squamous cell carcinoma of the head and neck. Mol Pharmacol (2008) 1.21
Small-molecule inhibitors of the MDM2-p53 protein-protein interaction (MDM2 Inhibitors) in clinical trials for cancer treatment. J Med Chem (2014) 1.21
TW-37, a small-molecule inhibitor of Bcl-2, inhibits cell growth and induces apoptosis in pancreatic cancer: involvement of Notch-1 signaling pathway. Cancer Res (2009) 1.20
Structure-Based Design of Conformationally Constrained, Cell-Permeable STAT3 Inhibitors. ACS Med Chem Lett (2010) 1.18
Behavioral sensitization to cocaine in rats: evidence for temporal differences in dopamine D3 and D2 receptor sensitivity. Psychopharmacology (Berl) (2011) 1.18
A potent small-molecule inhibitor of the MDM2-p53 interaction (MI-888) achieved complete and durable tumor regression in mice. J Med Chem (2013) 1.17
Computational elucidation of the structural basis of ligand binding to the dopamine 3 receptor through docking and homology modeling. J Med Chem (2006) 1.16
Nonpeptidic small-molecule inhibitor of Bcl-2 and Bcl-XL, (-)-Gossypol, enhances biological effect of genistein against BxPC-3 human pancreatic cancer cell line. Pancreas (2005) 1.15
Design of triazole-stapled BCL9 α-helical peptides to target the β-catenin/B-cell CLL/lymphoma 9 (BCL9) protein-protein interaction. J Med Chem (2012) 1.12
Structure-based design, synthesis, evaluation, and crystallographic studies of conformationally constrained Smac mimetics as inhibitors of the X-linked inhibitor of apoptosis protein (XIAP). J Med Chem (2008) 1.11
MDM2 inhibitor MI-319 in combination with cisplatin is an effective treatment for pancreatic cancer independent of p53 function. Eur J Cancer (2010) 1.11
Therapeutic potential and molecular mechanism of a novel, potent, nonpeptide, Smac mimetic SM-164 in combination with TRAIL for cancer treatment. Mol Cancer Ther (2011) 1.09
The FHA and BRCT domains recognize ADP-ribosylation during DNA damage response. Genes Dev (2013) 1.09
4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. J Med Chem (2010) 1.08
Analysis of ligand-bound water molecules in high-resolution crystal structures of protein-ligand complexes. J Chem Inf Model (2007) 1.08
Design and synthesis of a new, conformationally constrained, macrocyclic small-molecule inhibitor of STAT3 via 'click chemistry'. Bioorg Med Chem Lett (2007) 1.07
Targeting apoptosis pathways for new cancer therapeutics. Annu Rev Med (2013) 1.06
Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy. J Med Chem (2006) 1.06
Pharmacophore-based discovery of substituted pyridines as novel dopamine transporter inhibitors. Bioorg Med Chem Lett (2003) 1.06
Design of Bcl-2 and Bcl-xL inhibitors with subnanomolar binding affinities based upon a new scaffold. J Med Chem (2012) 1.06
An MDM2 antagonist (MI-319) restores p53 functions and increases the life span of orally treated follicular lymphoma bearing animals. Mol Cancer (2009) 1.05
High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J Am Chem Soc (2012) 1.05
RNF111-dependent neddylation activates DNA damage-induced ubiquitination. Mol Cell (2013) 1.05
A network of substrates of the E3 ubiquitin ligases MDM2 and HUWE1 control apoptosis independently of p53. Sci Signal (2013) 1.04
Retracted TW-37, a small-molecule inhibitor of Bcl-2, inhibits cell growth and invasion in pancreatic cancer. Int J Cancer (2008) 1.04
Structure-based design of flavonoid compounds as a new class of small-molecule inhibitors of the anti-apoptotic Bcl-2 proteins. J Med Chem (2007) 1.04
Binding free energy contributions of interfacial waters in HIV-1 protease/inhibitor complexes. J Am Chem Soc (2006) 1.03
Breast cancer cells can evade apoptosis-mediated selective killing by a novel small molecule inhibitor of Bcl-2. Cancer Res (2004) 1.01
AT-406, an orally active antagonist of multiple inhibitor of apoptosis proteins, inhibits progression of human ovarian cancer. Cancer Biol Ther (2012) 1.01
Diastereomeric spirooxindoles as highly potent and efficacious MDM2 inhibitors. J Am Chem Soc (2013) 1.00
Potent bivalent Smac mimetics: effect of the linker on binding to inhibitor of apoptosis proteins (IAPs) and anticancer activity. J Med Chem (2011) 1.00
Critical role of prostate apoptosis response-4 in determining the sensitivity of pancreatic cancer cells to small-molecule inhibitor-induced apoptosis. Mol Cancer Ther (2008) 1.00
p53-mediated heterochromatin reorganization regulates its cell fate decisions. Nat Struct Mol Biol (2012) 1.00
Structure-based design of high-affinity macrocyclic peptidomimetics to block the menin-mixed lineage leukemia 1 (MLL1) protein-protein interaction. J Med Chem (2013) 0.99
Structure-based design, synthesis and biochemical testing of novel and potent Smac peptido-mimetics. Bioorg Med Chem Lett (2005) 0.98
Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction. J Med Chem (2010) 0.97
Design, synthesis, and evaluation of potent, nonpeptidic mimetics of second mitochondria-derived activator of caspases. J Med Chem (2009) 0.96
Proerectile effects of dopamine D2-like agonists are mediated by the D3 receptor in rats and mice. J Pharmacol Exp Ther (2009) 0.96
TW-37, a small-molecule inhibitor of Bcl-2, mediates S-phase cell cycle arrest and suppresses head and neck tumor angiogenesis. Mol Cancer Ther (2009) 0.96
Importance of ligand reorganization free energy in protein-ligand binding-affinity prediction. J Am Chem Soc (2009) 0.96
Design and characterization of bivalent Smac-based peptides as antagonists of XIAP and development and validation of a fluorescence polarization assay for XIAP containing both BIR2 and BIR3 domains. Anal Biochem (2007) 0.96
Potent, orally bioavailable diazabicyclic small-molecule mimetics of second mitochondria-derived activator of caspases. J Med Chem (2008) 0.95
Superparamagnetic iron oxide nanotheranostics for targeted cancer cell imaging and pH-dependent intracellular drug release. Mol Pharm (2010) 0.95
Apogossypolone, a nonpeptidic small molecule inhibitor targeting Bcl-2 family proteins, effectively inhibits growth of diffuse large cell lymphoma cells in vitro and in vivo. Cancer Biol Ther (2008) 0.94