A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields
about
Annotating Human P-Glycoprotein Bioassay DataHow Open Data Shapes In Silico Transporter Modeling.Empowering pharmacoinformatics by linked life science dataDocking applied to the prediction of the affinity of compounds to P-glycoproteinBDDCS class prediction for new molecular entities.Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic targetpkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures.Pharmacophore-based discovery of inhibitors of a novel drug/proton antiporter in human brain endothelial hCMEC/D3 cell lineCharacterisation of data resources for in silico modelling: benchmark datasets for ADME properties.Improving the prediction of the brain disposition for orally administered drugs using BDDCS.Non-covalent interactions involving halogenated derivatives of capecitabine and thymidylate synthase: a computational approach.The significance of acid/base properties in drug discoveryHepatic drug transporters: the journey so far.ADME-Space: a new tool for medicinal chemists to explore ADME properties.Computational modeling to predict the functions and impact of drug transporters.Genomic and transcriptomic profiling of resistant CEM/ADR-5000 and sensitive CCRF-CEM leukaemia cells for unravelling the full complexity of multi-factorial multidrug resistanceToward a unifying strategy for the structure-based prediction of toxicological endpoints.Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors.Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein.Ligand Promiscuity between the Efflux Pumps Human P-Glycoprotein and S. aureus NorA.Subtle Structural Differences Trigger Inhibitory Activity of Propafenone Analogues at the Two Polyspecific ABC Transporters: P-Glycoprotein (P-gp) and Breast Cancer Resistance Protein (BCRP).Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions2D- and 3D-QSAR studies of a series of benzopyranes and benzopyrano[3,4b][1,4]-oxazines as inhibitors of the multidrug transporter P-glycoprotein.Halogen-directed drug design for Alzheimer's disease: a combined density functional and molecular docking study.Ligand and structure-based classification models for prediction of P-glycoprotein inhibitors.Inhibitory effect of clemastine on P-glycoprotein expression and function: an in vitro and in situ studyIn silico approach for the discovery of new PPARγ modulators among plant-derived polyphenolsFingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitorsCombined QSAR and molecule docking studies on predicting P-glycoprotein inhibitors.Machine learning-, rule- and pharmacophore-based classification on the inhibition of P-glycoprotein and NorA.vNN Web Server for ADMET Predictions.In silico ADME-Tox modeling: progress and prospects.Effects of aripiprazole and its active metabolite dehydroaripiprazole on the activities of drug efflux transporters expressed both in the intestine and at the blood-brain barrier.Three- and four-class classification models for P-glycoprotein inhibitors using counter-propagation neural networks.Computational classification models for predicting the interaction of drugs with P-glycoprotein and breast cancer resistance protein.Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness.Using the Variable-Nearest Neighbor Method To Identify P-Glycoprotein Substrates and Inhibitors.Molecular interaction fields in drug discovery: recent advances and future perspectives
P2860
Q27967903-269D2BC3-0D8E-41DA-949D-8E1C78F3C875Q30491084-73EAE7F1-61EC-45DC-9982-AACE25C09E65Q31141737-D9DA381C-D0CA-4142-815A-3626D023DBB0Q33757813-4E42B8CB-12D8-44D8-BEAC-BF2AA0A2BB1DQ34634883-3369012C-824C-4A42-8F55-1E5220E743D5Q35027753-A409FFE3-9D4F-473D-BC63-8752C50227F6Q35599192-28D4CC83-8259-4502-B5CE-527AC25BF596Q36211219-200B6B17-B988-4390-804C-AF33232CEE99Q36333632-9E7804F8-8319-41CF-AC42-1E6F631AD7C3Q36394062-CD2A164A-B8D6-404F-B7E9-1EC4A351AE1DQ36610117-C296CFB6-13B0-4887-95C3-5E243340B272Q38055676-EE5DB2CE-94B1-405A-93FF-EDE0C9F7CD29Q38560889-7ED97708-A847-4085-9146-5B2DAB7D1CB3Q38661488-CB59E6FE-CFBB-4AB8-BEFA-E2D9FE4D4C0CQ38715008-F623A70B-46D6-4830-B84F-91C0FA01112AQ38797514-FD4FDD6A-9A07-42D9-9B14-51937DFE15FEQ38944440-12A18CDA-4081-4D8B-AF05-C9EB7A899B2EQ39038015-0E4D3FD6-BA51-43A0-8136-0D813714017AQ39373185-76B31862-318D-4B6F-9A9F-E5CF5E64C7DBQ39734137-F47CB6FF-AE72-40EB-9273-AE2768A7DDA6Q40359311-E2895F09-BDB3-489E-B8A1-F6F85AB5FBC4Q41172510-F0EFF566-DAF4-41C9-872D-AFE6C750AECEQ41549374-51432BBA-F14E-4A0A-BFD8-5BBED235604AQ41727207-DEB4C4CF-DDC8-4B80-A0E9-6E7B66D0FCCBQ41771553-D59DF84B-4F31-4F2A-BFEF-E97929FC1373Q41887937-9111C4B7-5663-468A-BE6B-9E4F80A407BAQ42270323-A8681DD5-F49B-4C12-A10E-655FA34AE25BQ42326093-A7648E10-2515-471C-B8A5-107F0A4AA4B0Q43724449-9BD3752E-1EC2-424E-9FB8-798AA7712480Q45950000-5C5FA018-7164-40D9-9D8A-44C2A648A28CQ47117686-546A0BD0-F2BD-4219-9418-5B7084BC4FF9Q47658021-CA434D19-6163-4D1F-9B38-F4CE8CDFE8E6Q48423410-F47EA442-AFF2-42F8-9AFE-1745760D6E18Q50976814-AF1AD050-4920-4214-9AAA-F59860FC0F9CQ51006060-9654415C-C03D-4010-B106-FE68FD89FA91Q51688651-5B2BD9BF-1395-4CC1-94D0-93FE45FD44F5Q55686180-E884F82B-BB5F-40D6-A222-CA86B69FDA2CQ58137084-3E2D06EA-31D6-472D-A072-59BE9960D711
P2860
A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields
description
2011 nî lūn-bûn
@nan
2011 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
A novel approach for predictin ...... g molecular interaction fields
@ast
A novel approach for predictin ...... g molecular interaction fields
@en
A novel approach for predicting P-glycoprotein
@nl
type
label
A novel approach for predictin ...... g molecular interaction fields
@ast
A novel approach for predictin ...... g molecular interaction fields
@en
A novel approach for predicting P-glycoprotein
@nl
prefLabel
A novel approach for predictin ...... g molecular interaction fields
@ast
A novel approach for predictin ...... g molecular interaction fields
@en
A novel approach for predicting P-glycoprotein
@nl
P2093
P2860
P50
P356
P1476
A novel approach for predictin ...... g molecular interaction fields
@en
P2093
Annalisa Neri
Emanuele Carosati
Fabio Broccatelli
Maria Frosini
P2860
P304
P356
10.1021/JM101421D
P407
P577
2011-02-22T00:00:00Z