Design and Validation of FRESH, a Drug Discovery Paradigm Resting on Robust Chemical Synthesis.

Development of CXCR4 modulators by virtual HTS of a novel amide-sulfamide compound library. Eur J Med Chem (2016) 0.78

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev (2001) 36.00

ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res (2011) 14.51

Histone deacetylases (HDACs): characterization of the classical HDAC family. Biochem J (2003) 11.27

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities. Nucleic Acids Res (2006) 10.36

Carbonic anhydrases: novel therapeutic applications for inhibitors and activators. Nat Rev Drug Discov (2008) 4.66

Efficient drug lead discovery and optimization. Acc Chem Res (2009) 2.90

The art and practice of structure-based drug design: a molecular modeling perspective. Med Res Rev (1996) 2.46

Epidermal growth factor promotes MDA-MB-231 breast cancer cell migration through a phosphatidylinositol 3'-kinase and phospholipase C-dependent mechanism. Cancer Res (1999) 1.98

Phosphoinositide 3-kinases in cell migration. Biol Cell (2009) 1.95

Role of class I and class II histone deacetylases in carcinoma cells using siRNA. Biochem Biophys Res Commun (2003) 1.73

Phosphatidylinositol 3-kinase (PI3K) inhibitors as cancer therapeutics. J Hematol Oncol (2013) 1.59

Regulation of breast cancer cell chemotaxis by the phosphoinositide 3-kinase p110delta. Cancer Res (2003) 1.51

Chemical and structural lessons from recent successes in protein-protein interaction inhibition (2P2I). Curr Opin Chem Biol (2011) 1.49

Ureido-substituted benzenesulfonamides potently inhibit carbonic anhydrase IX and show antimetastatic activity in a model of breast cancer metastasis. J Med Chem (2011) 1.13

Challenges for academic drug discovery. Angew Chem Int Ed Engl (2012) 1.09

Novel inhibitors of human histone deacetylase (HDAC) identified by QSAR modeling of known inhibitors, virtual screening, and experimental validation. J Chem Inf Model (2009) 0.98

Computational studies on the histone deacetylases and the design of selective histone deacetylase inhibitors. Curr Top Med Chem (2009) 0.93

Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem Commun (Camb) (2010) 0.90

QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices. Bioorg Med Chem (2005) 0.89

Design and synthesis of imidazopyridine analogues as inhibitors of phosphoinositide 3-kinase signaling and angiogenesis. J Med Chem (2011) 0.86

Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity. Bioorg Med Chem Lett (2010) 0.82

A novel two-step QSAR modeling work flow to predict selectivity and activity of HDAC inhibitors. Bioorg Med Chem Lett (2013) 0.82

A selectivity study on mTOR/PI3Kα inhibitors by homology modeling and 3D-QSAR. J Mol Model (2011) 0.80

Binding Model for the Interaction of Anticancer Arylsulfonamides with the p300 Transcription Cofactor. ACS Med Chem Lett (2012) 0.90

Pyrazolo-Piperidines Exhibit Dual Inhibition of CCR5/CXCR4 HIV Entry and Reverse Transcriptase. ACS Med Chem Lett (2015) 0.76