Published in J Med Chem on April 09, 2009
Use of natural products as chemical library for drug discovery and network pharmacology. PLoS One (2013) 1.18
Retrospective analysis of natural products provides insights for future discovery trends. Proc Natl Acad Sci U S A (2017) 1.03
Role of natural product diversity in chemical biology. Curr Opin Chem Biol (2011) 1.01
Exploring chemical space for drug discovery using the chemical universe database. ACS Chem Neurosci (2012) 0.92
3β,5α,6β-Trihy-droxy-androstan-17-one. Acta Crystallogr Sect E Struct Rep Online (2011) 0.91
Recent progress in the metabolic engineering of alkaloids in plant systems. Curr Opin Biotechnol (2012) 0.90
Natural products in modern life science. Phytochem Rev (2010) 0.89
An allenic Pauson-Khand approach to 6,12-guaianolides. Org Lett (2011) 0.88
Prospecting for novel plant-derived molecules of Rauvolfia serpentina as inhibitors of Aldose Reductase, a potent drug target for diabetes and its complications. PLoS One (2013) 0.85
Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem. J Comput Aided Mol Des (2011) 0.84
A redox economical synthesis of bioactive 6,12-guaianolides. Org Lett (2013) 0.83
Increased diversity of libraries from libraries: chemoinformatic analysis of bis-diazacyclic libraries. Chem Biol Drug Des (2011) 0.82
Integration of Microfractionation, qNMR and zebrafish screening for the in vivo bioassay-guided isolation and quantitative bioactivity analysis of natural products. PLoS One (2013) 0.82
TIPdb: a database of anticancer, antiplatelet, and antituberculosis phytochemicals from indigenous plants in Taiwan. ScientificWorldJournal (2013) 0.80
Expanding the fragrance chemical space for virtual screening. J Cheminform (2014) 0.79
Druggable chemical space and enumerative combinatorics. J Cheminform (2013) 0.79
Synthesis and Evaluation of a 2,11-Cembranoid-Inspired Library. Chemistry (2016) 0.78
Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones. Tetrahedron (2010) 0.77
Antibiotic drug discovery. Microb Biotechnol (2016) 0.76
A model to predict anti-tuberculosis activity: value proposition for marine microorganisms. J Antibiot (Tokyo) (2016) 0.75
Reviewing Colchicaceae alkaloids - perspectives of evolution on medicinal chemistry. Curr Top Med Chem (2014) 0.75
Scaffold Diversity of Fungal Metabolites. Front Pharmacol (2017) 0.75
Web-based 3D-visualization of the DrugBank chemical space. J Cheminform (2016) 0.75
Oxygen-containing fragments in natural products. J Comput Aided Mol Des (2012) 0.75
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev (2001) 36.00
Rational design of potent sialidase-based inhibitors of influenza virus replication. Nature (1993) 8.62
Natural products as sources of new drugs over the period 1981-2002. J Nat Prod (2003) 8.03
Natural products in drug discovery and development. J Nat Prod (1997) 4.94
Natural products in drug discovery. Drug Discov Today (2008) 4.46
Chris Lipinski discusses life and chemistry after the Rule of Five. Drug Discov Today (2003) 3.99
Virtual computational chemistry laboratory--design and description. J Comput Aided Mol Des (2005) 3.83
The war against influenza: discovery and development of sialidase inhibitors. Nat Rev Drug Discov (2007) 3.23
Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry. J Chem Inf Comput Sci (2003) 2.90
The impact of natural products upon modern drug discovery. Curr Opin Chem Biol (2008) 2.84
The art and practice of structure-based drug design: a molecular modeling perspective. Med Res Rev (1996) 2.46
Pursuing the leadlikeness concept in pharmaceutical research. Curr Opin Chem Biol (2004) 2.36
ChemGPS-NP: tuned for navigation in biologically relevant chemical space. J Nat Prod (2007) 1.53
Chemography: the art of navigating in chemical space. J Comb Chem (2001) 1.51
Scaffold architecture and pharmacophoric properties of natural products and trade drugs: application in the design of natural product-based combinatorial libraries. J Comb Chem (2001) 1.49
The interdependence between screening methods and screening libraries. Curr Opin Chem Biol (2007) 1.48
Developing a drug-like natural product library. J Nat Prod (2008) 1.24
Lead-like, drug-like or "Pub-like": how different are they? J Comput Aided Mol Des (2007) 1.21
ChemGPS-NP(Web): chemical space navigation online. J Comput Aided Mol Des (2008) 1.12
Expanding the ChemGPS chemical space with natural products. J Nat Prod (2005) 1.04
Scaffold topologies. 2. Analysis of chemical databases. J Chem Inf Model (2008) 1.02
Manoalide, a natural sesterterpenoid that inhibits calcium channels. J Biol Chem (1987) 1.02
Cheminformatics analysis of natural products: lessons from nature inspiring the design of new drugs. Prog Drug Res (2008) 0.94
Scaffold topologies. 1. Exhaustive enumeration up to eight rings. J Chem Inf Model (2008) 0.93
Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection. Curr Top Med Chem (2005) 0.90
Monoamine oxidase inhibitory components from the roots of Sophora flavescens. Arch Pharm Res (2005) 0.89
Lycorine alkaloids from Hymenocallis littoralis. Phytochemistry (1995) 0.88
Aromatase inhibition by an 11,13-dihydroderivative of a sesquiterpene lactone. J Pharmacol Exp Ther (2001) 0.87
The dietary soy flavonoid genistein abrogates tissue factor induction in endothelial cells induced by the atherogenic oxidized phospholipid oxPAPC. Thromb Res (2006) 0.82
First generation aromatase inhibitors--aminoglutethimide and testololactone. Breast Cancer Res Treat (1994) 0.81
Virtual and biomolecular screening converge on a selective agonist for GPR30. Nat Chem Biol (2006) 5.20
Visualization of GC/TOF-MS-based metabolomics data for identification of biochemically interesting compounds using OPLS class models. Anal Chem (2007) 4.04
Estrogen signaling through the transmembrane G protein-coupled receptor GPR30. Annu Rev Physiol (2008) 3.20
Assessing the performance of OMEGA with respect to retrieving bioactive conformations. J Mol Graph Model (2003) 2.78
G protein-coupled receptor 30 (GPR30) mediates gene expression changes and growth response to 17beta-estradiol and selective GPR30 ligand G-1 in ovarian cancer cells. Cancer Res (2007) 2.71
In vivo effects of a GPR30 antagonist. Nat Chem Biol (2009) 2.39
Pursuing the leadlikeness concept in pharmaceutical research. Curr Opin Chem Biol (2004) 2.36
Quantifying the chemical beauty of drugs. Nat Chem (2012) 2.36
Distribution and characterization of estrogen receptor G protein-coupled receptor 30 in the rat central nervous system. J Endocrinol (2007) 2.20
Structure and function of Rubisco. Plant Physiol Biochem (2008) 2.00
Quantifying the relationships among drug classes. J Chem Inf Model (2008) 1.92
Using chemometrics for navigating in the large data sets of genomics, proteomics, and metabonomics (gpm). Anal Bioanal Chem (2004) 1.88
BDDCS applied to over 900 drugs. AAPS J (2011) 1.68
An automated PLS search for biologically relevant QSAR descriptors. J Comput Aided Mol Des (2005) 1.66
Interactive exploration of chemical space with Scaffold Hunter. Nat Chem Biol (2009) 1.55
ChemGPS-NP: tuned for navigation in biologically relevant chemical space. J Nat Prod (2007) 1.53
Bradycardic effects mediated by activation of G protein-coupled estrogen receptor in rat nucleus ambiguus. Exp Physiol (2012) 1.51
QSAR modeling of the blood-brain barrier permeability for diverse organic compounds. Pharm Res (2008) 1.46
Identification of a GPER/GPR30 antagonist with improved estrogen receptor counterselectivity. J Steroid Biochem Mol Biol (2011) 1.42
Integration of virtual screening with high-throughput flow cytometry to identify novel small molecule formylpeptide receptor antagonists. Mol Pharmacol (2005) 1.37
The G protein-coupled receptor GPR30 inhibits proliferation of estrogen receptor-positive breast cancer cells. Cancer Res (2010) 1.36
The ins and outs of GPR30: a transmembrane estrogen receptor. J Steroid Biochem Mol Biol (2008) 1.36
Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection? J Comput Aided Mol Des (2008) 1.32
Cyclotides: a novel type of cytotoxic agents. Mol Cancer Ther (2002) 1.32
Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds. J Cheminform (2011) 1.28
GPR30: a novel therapeutic target in estrogen-related disease. Trends Pharmacol Sci (2008) 1.25
The population of the hypogeous fungus Tuber aestivum syn. T. uncinatum on the island of Gotland. Mycorrhiza (2003) 1.24
Developing a drug-like natural product library. J Nat Prod (2008) 1.24
High-throughput screening with HyperCyt flow cytometry to detect small molecule formylpeptide receptor ligands. J Biomol Screen (2005) 1.22
Intracellular cannabinoid type 1 (CB1) receptors are activated by anandamide. J Biol Chem (2011) 1.20
Selective cytotoxicity evaluation in anticancer drug screening of fractionated plant extracts. J Biomol Screen (2002) 1.18
ChemProt-2.0: visual navigation in a disease chemical biology database. Nucleic Acids Res (2012) 1.17
A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields. J Med Chem (2011) 1.17
Identification of CSF biomarkers for frontotemporal dementia using SELDI-TOF. Exp Neurol (2005) 1.16
In vitro differentiation of human mesenchymal stem cells to epithelial lineage. J Cell Mol Med (2007) 1.16
High-throughput flow cytometry to detect selective inhibitors of ABCB1, ABCC1, and ABCG2 transporters. Assay Drug Dev Technol (2008) 1.14
Chemical predictive modelling to improve compound quality. Nat Rev Drug Discov (2013) 1.13
Rapid evaluation of synthetic and molecular complexity for in silico chemistry. J Chem Inf Model (2005) 1.13
ChemGPS-NP(Web): chemical space navigation online. J Comput Aided Mol Des (2008) 1.12
Bioactivity-guided mapping and navigation of chemical space. Nat Chem Biol (2009) 1.11
Expression of estrogen receptor GPR30 in the rat spinal cord and in autonomic and sensory ganglia. J Neurosci Res (2009) 1.11
Modulation of bitter taste perception by a small molecule hTAS2R antagonist. Curr Biol (2010) 1.09
Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds. J Cheminform (2009) 1.08
Biomolecular screening of formylpeptide receptor ligands with a sensitive, quantitative, high-throughput flow cytometry platform. Nat Protoc (2006) 1.07
The CARLSBAD database: a confederated database of chemical bioactivities. Database (Oxford) (2013) 1.05
Improved chemical text mining of patents with infinite dictionaries and automatic spelling correction. J Chem Inf Model (2011) 1.04
Expanding the ChemGPS chemical space with natural products. J Nat Prod (2005) 1.04
ChemProt: a disease chemical biology database. Nucleic Acids Res (2010) 1.03
Scaffold topologies. 2. Analysis of chemical databases. J Chem Inf Model (2008) 1.02
Tracking 20 years of compound-to-target output from literature and patents. PLoS One (2013) 1.01
Exemestane's 17-hydroxylated metabolite exerts biological effects as an androgen. Mol Cancer Ther (2007) 1.01
Estrogen rapidly modulates 5-hydroxytrytophan-induced visceral hypersensitivity via GPR30 in rats. Gastroenterology (2009) 1.00
Consistency of systematic chemical identifiers within and between small-molecule databases. J Cheminform (2012) 0.99
Multifingerprint based similarity searches for targeted class compound selection. J Chem Inf Model (2006) 0.99
Activation of dioxin response element (DRE)-associated genes by benzo(a)pyrene 3,6-quinone and benzo(a)pyrene 1,6-quinone in MCF-10A human mammary epithelial cells. Toxicol Appl Pharmacol (2007) 0.98
Emerging trends in the discovery of natural product antibacterials. Curr Opin Pharmacol (2013) 0.97
Exploiting structural information in patent specifications for key compound prediction. J Chem Inf Model (2012) 0.97
Strategies for compound selection. Curr Drug Discov Technol (2004) 0.95
Virtual screening applications: a study of ligand-based methods and different structure representations in four different scenarios. J Comput Aided Mol Des (2007) 0.95
High-throughput screening for daunorubicin-mediated drug resistance identifies mometasone furoate as a novel ABCB1-reversal agent. J Biomol Screen (2008) 0.95
High-throughput flow cytometry for drug discovery. Expert Opin Drug Discov (2007) 0.95
iPHACE: integrative navigation in pharmacological space. Bioinformatics (2010) 0.93
Scaffold topologies. 1. Exhaustive enumeration up to eight rings. J Chem Inf Model (2008) 0.93
A competitive nucleotide binding inhibitor: in vitro characterization of Rab7 GTPase inhibition. ACS Chem Biol (2012) 0.92
Duplex high-throughput flow cytometry screen identifies two novel formylpeptide receptor family probes. Cytometry A (2009) 0.92
Improving the prediction of the brain disposition for orally administered drugs using BDDCS. Adv Drug Deliv Rev (2011) 0.92
Mechanisms of G protein-coupled estrogen receptor-mediated spinal nociception. J Pain (2012) 0.91
Transporter-mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target. Mol Inform (2010) 0.90
G protein-coupled estrogen receptor 1-mediated effects in the rat myometrium. Am J Physiol Cell Physiol (2011) 0.90
Complementarity between public and commercial databases: new opportunities in medicinal chemistry informatics. Curr Top Med Chem (2007) 0.90
High-throughput screen for the chemical inhibitors of antiapoptotic bcl-2 family proteins by multiplex flow cytometry. Assay Drug Dev Technol (2011) 0.89
BDDCS class prediction for new molecular entities. Mol Pharm (2012) 0.89
Natural products in modern life science. Phytochem Rev (2010) 0.89
Primary and 3-D modelled structures of two cyclotides from Viola odorata. Phytochemistry (2003) 0.88
Label-free primary screening and affinity ranking of fragment libraries using parallel analysis of protein panels. J Biomol Screen (2008) 0.88
Fluorescent substrates for flow cytometric evaluation of efflux inhibition in ABCB1, ABCC1, and ABCG2 transporters. Anal Biochem (2013) 0.88
Microbial efflux pump inhibition: tactics and strategies. Curr Pharm Des (2011) 0.88
Investigation of the relationship between topology and selectivity for druglike molecules. J Med Chem (2010) 0.88
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. Assay Drug Dev Technol (2010) 0.87
Detection of intracellular granularity induction in prostate cancer cell lines by small molecules using the HyperCyt high-throughput flow cytometry system. J Biomol Screen (2009) 0.87
Cerebrospinal fluid phospho-tau, total tau and beta-amyloid(1-42) in the differentiation between Alzheimer's disease and vascular dementia. Dement Geriatr Cogn Disord (2002) 0.87
Oncology exploration: charting cancer medicinal chemistry space. Drug Discov Today (2006) 0.86
A recently transferred cluster of bacterial genes in Trichomonas vaginalis--lateral gene transfer and the fate of acquired genes. BMC Evol Biol (2014) 0.86
Phenotypic variants of staphylococci and their underlying population distributions following exposure to stress. PLoS One (2013) 0.86
Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds. Bioorg Med Chem Lett (2009) 0.86
Diverging alternative splicing fingerprints in the transforming growth factor-β signaling pathway identified in thoracic aortic aneurysms. Mol Med (2011) 0.86
A novel flow cytometric HTS assay reveals functional modulators of ATP binding cassette transporter ABCB6. PLoS One (2012) 0.85
Discovery of selective probes and antagonists for G-protein-coupled receptors FPR/FPRL1 and GPR30. Curr Top Med Chem (2009) 0.85
Effect of low temperature on growth and ultra-structure of Staphylococcus spp. PLoS One (2012) 0.84
The leukocyte chemotactic receptor FPR2, but not the closely related FPR1, is sensitive to cell-penetrating pepducins with amino acid sequences descending from the third intracellular receptor loop. Biochim Biophys Acta (2013) 0.84
Conformational mAb as a tool for integrin ligand discovery. Assay Drug Dev Technol (2009) 0.84
Model-free drug-likeness from fragments. J Chem Inf Model (2010) 0.84
Descriptor collision and confusion: toward the design of descriptors to mask chemical structures. J Comput Aided Mol Des (2005) 0.83