Lead- and drug-like compounds: the rule-of-five revolution.
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How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusionLost in Translation (LiT): IUPHAR Review 6Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint ApproachCETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil.The Haemonchus contortus kinome--a resource for fundamental molecular investigations and drug discoveryParallel Synthesis of an Imidazole-4,5-dicarboxamide Library Bearing Amino Acid Esters and AlkanaminesThermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitorsDiscovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding PairOpen Drug Discovery Toolkit (ODDT): a new open-source player in the drug discovery fieldIn silico characterization of an atypical MAPK phosphatase of Plasmodium falciparum as a suitable target for drug discoveryEvaluating New Chemistry to Drive Molecular Discovery: Fit for Purpose?Inhibitors of the glyoxylate cycle enzyme ICL1 in Candida albicans for potential use as antifungal agentsMycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validationThe potent Cdc7-Dbf4 (DDK) kinase inhibitor XL413 has limited activity in many cancer cell lines and discovery of potential new DDK inhibitor scaffoldsIdentification of New Molecular Entities (NMEs) as Potential Leads against Tuberculosis from Open Source Compound RepositoryPropargyl-Linked Antifolates Are Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosisChemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integrationTSH Receptor Signaling Abrogation by a Novel Small MoleculeSemantic Web integration of Cheminformatics resources with the SADI frameworkNatural products as sources of new drugs over the 30 years from 1981 to 2010Building a virtual ligand screening pipeline using free software: a surveyMolecular docking studies of marine diterpenes as inhibitors of wild-type and mutants HIV-1 reverse transcriptase.Identification and Characterization of Noncovalent Interactions That Drive Binding and Specificity in DD-Peptidases and β-LactamasesConstraining cyclic peptides to mimic protein structure motifs.AVN-101: A Multi-Target Drug Candidate for the Treatment of CNS Disorders.Identification of potential leads against 4-hydroxytetrahydrodipicolinate synthase from Mycobacterium tuberculosis.Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening.Repurposing of the Open Access Malaria Box for Kinetoplastid Diseases Identifies Novel Active Scaffolds against Trypanosomatids.A divergent synthetic approach to diverse molecular scaffolds: assessment of lead-likeness using LLAMA, an open-access computational tool.Irigenin, a novel lead from Western Himalayan chemiome inhibits Fibronectin-Extra Domain A induced metastasis in Lung cancer cells.How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.Exploration of Scaffolds from Natural Products with Antiplasmodial Activities, Currently Registered Antimalarial Drugs and Public Malarial Screen Data.A Data-Driven Approach to Predicting Successes and Failures of Clinical Trials.Solution-phase synthesis of a tricyclic pyrrole-2-carboxamide discovery library applying a stetter-Paal-Knorr reaction sequenceManaging, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers.Screening library evolution through automation of solution preparation.Discovery of a Selective S1P1 Receptor Agonist Efficacious at Low Oral Dose and Devoid of Effects on Heart Rate.Identification and synthesis of N-(thiophen-2-yl) benzamide derivatives as BRAF(V600E) inhibitors.Design of glucagon-like Peptide-1 receptor agonist for diabetes mellitus from traditional chinese medicine.In silico design of BACE1 inhibitor for Alzheimer's disease by traditional Chinese medicine.
P2860
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P2860
Lead- and drug-like compounds: the rule-of-five revolution.
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
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name
Lead- and drug-like compounds: the rule-of-five revolution.
@en
type
label
Lead- and drug-like compounds: the rule-of-five revolution.
@en
prefLabel
Lead- and drug-like compounds: the rule-of-five revolution.
@en
P1476
Lead- and drug-like compounds: the rule-of-five revolution.
@en
P304
P356
10.1016/J.DDTEC.2004.11.007
P577
2004-12-01T00:00:00Z