Pharmacophore modeling and three-dimensional database searching for drug design using catalyst

scientific article

Pharmacophore modeling and three-dimensional database searching for drug design using catalyst is …
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scholarly articleQ13442814

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P356DOI10.2174/0929867013372481
P698PubMed publication ID11472240
P5875ResearchGate publication ID11870848

P2093author name stringKurogi Y
Güner OF
P2860cites workIdentification of common functional configurations among moleculesQ42633535
An integrated approach to three-dimensional information management with MACCS-3D.Q43406804
Definition of a pharmacophore for partial agonists of serotonin 5-HT3 receptorsQ77230018
P433issue9
P921main subjectdatabaseQ8513
P304page(s)1035-1055
P577publication date2001-07-01
P13046publication type of scholarly workreview articleQ7318358
P1433published inCurrent Medicinal ChemistryQ3007710
P1476titlePharmacophore modeling and three-dimensional database searching for drug design using catalyst
P478volume8

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cites work (P2860)
Q43227515A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors
Q33924947A novel potential therapeutic avenue for autism: design, synthesis and pharmacophore generation of SSRIs with dual action
Q51901134A self-organizing algorithm for molecular alignment and pharmacophore development
Q97421941A systematic strategy for the investigation of vaccines and drugs targeting bacteria
Q90619451All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening
Q30845402Alzheimer's therapeutics: neurotrophin small molecule mimetics
Q30875193Benchmarking methods and data sets for ligand enrichment assessment in virtual screening
Q30650320Boosting Virtual Screening Enrichments with Data Fusion: Coalescing Hits from Two-Dimensional Fingerprints, Shape, and Docking
Q56916101Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR
Q44341489Chemical function-based pharmacophore generation of selective kappa-opioid receptor agonists by catalyst and phase
Q59050007Combined 3D QSAR Based Virtual Screening and Molecular Docking Study of Some Selected PDK-1 Kinase Inhibitors
Q51410824Combining molecular dynamics simulation and ligand-receptor contacts analysis as a new approach for pharmacophore modeling: beta-secretase 1 and check point kinase 1 as case studies
Q54485705Computational Insights into Ligand Selectivity of Estrogen Receptors from Pharmacophore Modeling.
Q26997089Computational methods in drug discovery
Q38819860Computer-aided discovery of new FGFR-1 inhibitors followed by in vitro validation.
Q37198661Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction
Q54573815Design and synthesis of novel dual-action compounds targeting the adenosine A(2A) receptor and adenosine transporter for neuroprotection
Q34175087Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors
Q35595863Discovery and pharmacological characterization of a novel potent inhibitor of diacylglycerol-sensitive TRPC cation channels
Q57712447Discovery of CNS-Like D3R-Selective Antagonists Using 3D Pharmacophore Guided Virtual Screening
Q39920314Discovery of DPP IV inhibitors by pharmacophore modeling and QSAR analysis followed by in silico screening.
Q90650682Discovery of Novel Glucagon Receptor Antagonists Using Combined Pharmacophore Modeling and Docking
Q51557447Discovery of new antifungal leads via pharmacophore modeling and QSAR analysis of fungal N-myristoyl transferase inhibitors followed by in silico screening.
Q39445530Discovery of new heat shock protein 90 inhibitors using virtual co-crystallized pharmacophore generation
Q51667857Discovery of new β-D-galactosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening.
Q51695973Discovery of new β-D-glucosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening.
Q47600381Discovery of novel potent nuclear factor kappa-B inhibitors (IKK-β) via extensive ligand-based modeling and virtual screening
Q50728831Discovery of novel urokinase plasminogen activator (uPA) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis.
Q37296002Docking, virtual high throughput screening and in silico fragment-based drug design
Q30576720Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis
Q50744649Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors
Q50985589Elaborate ligand-based modeling reveal new submicromolar Rho kinase inhibitors
Q51070891Ensemble pharmacophore meets ensemble docking: a novel screening strategy for the identification of RIPK1 inhibitors
Q46609728Generation and validation of the first predictive pharmacophore model for cyclin-dependent kinase 9 inhibitors
Q34266641Generation of Predictive Pharmacophore Models for CCR5 Antagonists: Study with Piperidine- and Piperazine-Based Compounds as a New Class of HIV-1 Entry Inhibitors
Q34209301Hierarchical virtual screening: identification of potential high-affinity and selective β(3)-adrenergic receptor agonists.
Q42028513Homology modeling and structural analysis of human P-glycoprotein
Q28485115Identification of novel HIV 1--protease inhibitors: application of ligand and structure based pharmacophore mapping and virtual screening
Q41035643Identification of novel inhibitors for Pim-1 kinase using pharmacophore modeling based on a novel method for selecting pharmacophore generation subsets.
Q39314390Identification of potential CCR5 inhibitors through pharmacophore-based virtual screening, molecular dynamics simulation and binding free energy analysis
Q30341584Impact of scoring functions on enrichment in docking-based virtual screening: an application study on renin inhibitors.
Q57471866In search of the representative pharmacophore hypotheses of the enzymatic proteome of Plasmodium falciparum: a multicomplex-based approach
Q35097744In silico identification and evaluation of leads for the simultaneous inhibition of protease and helicase activities of HCV NS3/4A protease using complex based pharmacophore mapping and virtual screening
Q35995265In silico pharmacology for drug discovery: applications to targets and beyond
Q87370170Informing Mechanistic Toxicology with Computational Molecular Models
Q83444808Insight into analysis of interactions of GW9508 to wild-type and H86F and H137F GPR40: A combined QM/MM study and pharmacophore modeling
Q84078786Insights from ligand and structure based methods in virtual screening of selective Ni-peptide deformylase inhibitors
Q51666820Integration-mediated prediction enrichment of quantitative model for Hsp90 inhibitors as anti-cancer agents: 3D-QSAR study
Q37778775Ligand Macromolecule Interactions: Theoretical Principles of Molecular Recognition
Q34006732Ligand-receptor interaction between triterpenoids and the 11beta-hydroxysteroid dehydrogenase type 2 (11betaHSD2) enzyme predicts their toxic effects against tumorigenic r/m HM-SFME-1 cells
Q34993147Mesangial cell proliferation inhibitors for the treatment of proliferative glomerular disease
Q35476224Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling
Q54426552Minimum requirements of hydrophobic and hydrophilic features in cationic peptide antibiotics (CPAs): pharmacophore generation and validation with cationic steroid antibiotics (CSAs).
Q84342604Molecular docking and structural analysis of cofactor-protein interaction between NAD⁺ and 11β-hydroxysteroid dehydrogenase type 2
Q43532099Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: generation of predictive pharmacophore model using catalyst
Q39739852Mouse 11β-hydroxysteroid dehydrogenase type 2 for human application: homology modeling, structural analysis and ligand-receptor interaction.
Q39559444Novel Method for Pharmacophore Analysis by Examining the Joint Pharmacophore Space
Q37399793Novel approach for efficient pharmacophore-based virtual screening: method and applications
Q39531618Novel virtual lead identification in the discovery of hematopoietic cell kinase (HCK) inhibitors: application of 3D QSAR and molecular dynamics simulation.
Q36749332PharmaGist: a webserver for ligand-based pharmacophore detection
Q43831895Pharmacophore Mapping of a Series of 2,4-Diamino-5-deazapteridine Inhibitors of Mycobacterium avium Complex Dihydrofolate Reductase
Q43145376Pharmacophore mapping of arylamino-substituted benzo[b]thiophenes as free radical scavengers
Q36358068Pharmacophore modelling of stereoselective binding to the human organic cation transporter (hOCT1).
Q34621241Pharmacophore modelling: applications in drug discovery
Q37788606Pharmacophore-Based Virtual Screening
Q35709484Pharmacophore-based discovery of a novel cytosolic phospholipase A(2)α inhibitor
Q33556394Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets
Q28481547Prediction of promiscuous p-glycoprotein inhibition using a novel machine learning scheme
Q92444290Promising Terpenes as Natural Antagonists of Cancer: An In-Silico Approach
Q34288171Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach.
Q39964651Relationships between molecular structure and perceived odor quality of ligands for a human olfactory receptor
Q55093753Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds
Q35229529Reviewing ligand-based rational drug design: the search for an ATP synthase inhibitor
Q38655350Simulated annealing molecular dynamics and ligand-receptor contacts analysis for pharmacophore modeling
Q33243843Small, nonpeptide p75NTR ligands induce survival signaling and inhibit proNGF-induced death.
Q39437066Stereoselective synthesis and QSAR study of cytotoxic 2-(4-oxo-thiazolidin-2-ylidene)-2-cyano-N-arylacetamides
Q57004233Structure-Based Classification of Antibacterial Activity
Q46882026Synthesis and three-dimensional qualitative structure selectivity relationship of 3,5-disubstituted-2,4-thiazolidinedione derivatives as COX2 inhibitors
Q51759061The discovery of a novel and selective inhibitor of PTP1B over TCPTP: 3D QSAR pharmacophore modeling, virtual screening, synthesis, and biological evaluation
Q34564278The discovery of potential acetylcholinesterase inhibitors: a combination of pharmacophore modeling, virtual screening, and molecular docking studies.
Q33247681Virtual ligand screening: strategies, perspectives and limitations
Q28261293Virtual screening for the discovery of bioactive natural products
Q33712915iDrug: a web-accessible and interactive drug discovery and design platform

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