Probing the links between in vitro potency, ADMET and physicochemical parameters.
about
Discovery and resupply of pharmacologically active plant-derived natural products: A reviewSystems pharmacology: network analysis to identify multiscale mechanisms of drug actionThe Valley of Death in anticancer drug development: a reassessmentRational approaches to improving selectivity in drug designHit identification and optimization in virtual screening: practical recommendations based on a critical literature analysisTriphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor ActivityMechanistic and functional differentiation of tapentadol and tramadolLigand-directed functional selectivity at the mu opioid receptor revealed by label-free integrative pharmacology on-targetGlobal analysis of small molecule binding to related protein targetsPrediction of chemical-protein interactions network with weighted network-based inference methodA chemocentric approach to the identification of cancer targetsWhat can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?Drug Promiscuity in PDB: Protein Binding Site Similarity Is KeyLooking back to the future: predicting in vivo efficacy of small molecules versus Mycobacterium tuberculosisTowards structural systems pharmacology to study complex diseases and personalized medicineA High-Content Larval Zebrafish Brain Imaging Method for Small Molecule Drug DiscoverySystematic Understanding of Mechanisms of a Chinese Herbal Formula in Treatment of Metabolic Syndrome by an Integrated Pharmacology ApproachLeveraging Large-scale Behavioral Profiling in Zebrafish to Explore Neuroactive Polypharmacology.Plate-based diversity subset screening generation 2: an improved paradigm for high-throughput screening of large compound filesApplication of the 4D fingerprint method with a robust scoring function for scaffold-hopping and drug repurposing strategies.Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum.Choose and Use Your Chemical Probe Wisely to Explore Cancer Biology.In pursuit of an inhibitory drug for the proton channelStructure-based discovery of the first allosteric inhibitors of cyclin-dependent kinase 2.Collation and data-mining of literature bioactivity data for drug discovery.Compound prioritization methods increase rates of chemical probe discovery in model organisms.DemQSAR: predicting human volume of distribution and clearance of drugs.Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.Overcoming Chemical, Biological, and Computational Challenges in the Development of Inhibitors Targeting Protein-Protein Interactions.A chemogenomic analysis of ionization constants--implications for drug discoveryEmerging topics in structure-based virtual screening.Mapping the cellular response to small molecules using chemogenomic fitness signatures.Finding novel pharmaceuticals in the systems biology era using multiple effective drug targets, phenotypic screening and knowledge of transporters: where drug discovery went wrong and how to fix it.Enhancing the Pharmacokinetic Properties of Botulinum Neurotoxin Serotype A Protease Inhibitors Through Rational DesignFocused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space.Peripheral anti-inflammatory effects explain the ginsenosides paradox between poor brain distribution and anti-depression efficacy.Scaffold hopping with virtual screening from IP3 to a drug-like partial agonist of the inositol trisphosphate receptor.Medicinal chemistry for 2020Sampling protein motion and solvent effect during ligand bindingBioinformatics and variability in drug response: a protein structural perspective.
P2860
Q22252341-04A48CC2-04CC-458B-BC3D-E398C6DDA990Q26824166-091799CA-77C5-46F9-B9A3-BAEE7415089CQ26861274-9386AD9B-4357-483F-984E-22A130E4C6BFQ26865357-8A2FF109-52A9-462E-8510-1C1CE474E6B4Q27000720-3FED09E2-D7C2-4140-847D-BEC624342783Q27676766-2BA7154D-5CDA-43D1-84C9-BC03B6238D21Q28268772-878EDCF2-5D5B-49C0-A742-14ED90EBA7B5Q28477403-20619A0E-EE9C-46FF-AB8E-E4EF2D6F2CC4Q28478884-D0B2B4AA-CE69-4963-8CAD-8CAE3501FC63Q28481329-16918AC3-F755-4B28-80AD-E41576BFD053Q28482507-D8F8005D-F571-41AB-AE3F-4786E3A4C2B9Q28484296-054DC5B8-A9A3-4D2A-BDEE-2C94CA67D14EQ28534178-8E70A895-64F1-41A2-B357-50887511EBE4Q28538272-80CD0524-DEC4-42B0-9708-3DB50A20B45FQ28538838-395DF594-7B6E-4CD2-A3EC-9B8A445A296EQ28554650-10907CA5-BBE6-4B77-828B-F516D356E6DEQ28818589-4069CA4B-C4B0-4685-B63D-D4C948235BCFQ28821886-83670723-85F4-4AF4-B2FF-311B18FE6C70Q28822337-86754656-8EA8-4C4B-AF1A-4056E3647E94Q30370841-DF882119-CF2A-4C75-9B14-47E4C6E68E5CQ33891625-825AD49A-60A1-4DA0-A793-C7F479E16F1DQ33906319-5C8F934F-C5F8-4B28-A898-447E2C223F64Q33919501-631DC7F3-6BB0-4F6E-A5DD-55BBE6E95E77Q33952827-D627BBD2-E11D-4AE1-9D68-A25ACCE0DAC5Q34026765-CD83732D-24F0-4012-A0B5-0FE252AF0B68Q34061093-01A0DFE8-E1A8-49D1-87FE-1F7103B38372Q34078930-52BF4814-B3DC-4625-9456-F7DCD6D6DE75Q34360291-201EAE0C-E3A5-4CF6-BC3F-6A065C631003Q34481459-F43CBC8B-B398-42DC-8662-D255DBE086B4Q34543267-818989AB-AB0A-4CE5-A4B7-3646523398F2Q34610866-7398849F-6DF1-4DB2-86AE-7E255469FD38Q34626429-B80635B6-0A33-4AE2-A2E2-59729755645DQ34646772-2B2F0190-5D88-455C-99FB-AE9212CB8FCEQ35087273-E2B8E203-8304-47BD-9B84-8C403F8230D4Q35158672-346EE968-1D8F-4273-B7BE-0D3B60A560CEQ35203734-6C354DA3-6362-4477-9DED-E20C86F40FC6Q35423302-7E11AD0E-9B28-43BA-8FFD-8155D7896FE9Q35593223-4EC749D9-F7FD-4036-9E91-4EB48E45175AQ35749668-480B6E92-2F20-471E-9F1D-0E996124F09EQ36009999-3A94D2EF-19D9-4B21-9E3D-4B5A203A0341
P2860
Probing the links between in vitro potency, ADMET and physicochemical parameters.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on March 2011
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Probing the links between in vitro potency, ADMET and physicochemical parameters.
@en
Probing the links between in vitro potency, ADMET and physicochemical parameters.
@nl
type
label
Probing the links between in vitro potency, ADMET and physicochemical parameters.
@en
Probing the links between in vitro potency, ADMET and physicochemical parameters.
@nl
prefLabel
Probing the links between in vitro potency, ADMET and physicochemical parameters.
@en
Probing the links between in vitro potency, ADMET and physicochemical parameters.
@nl
P2860
P50
P356
P1476
Probing the links between in vitro potency, ADMET and physicochemical parameters
@en
P2093
Dino Montanari
P2860
P2888
P304
P356
10.1038/NRD3367
P577
2011-03-01T00:00:00Z