Combined QSAR and molecule docking studies on predicting P-glycoprotein inhibitors

scientific article

Combined QSAR and molecule docking studies on predicting P-glycoprotein inhibitors is …
instance of (P31):
scholarly articleQ13442814

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P8978DBLP publication IDjournals/jcamd/TanMCLPSY13
P6179Dimensions Publication ID1051133467
P356DOI10.1007/S10822-013-9697-8
P2888exact matchhttps://scigraph.springernature.com/pub.10.1007/s10822-013-9697-8
P698PubMed publication ID24322389

P2093author name stringLi Yang
Hu Mei
Wen Tan
Mao Shu
Tengfei Liu
Li Chao
Xianchao Pan
P2860cites workStructure of P-glycoprotein reveals a molecular basis for poly-specific drug bindingQ24657908
PROCHECK: a program to check the stereochemical quality of protein structuresQ26778411
Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engineQ28207735
Predicting P-glycoprotein-mediated drug transport based on support vector machine and three-dimensional crystal structure of P-glycoproteinQ28477346
Exhaustive sampling of docking poses reveals binding hypotheses for propafenone type inhibitors of P-glycoproteinQ31011332
Comparative evaluation of eight docking tools for docking and virtual screening accuracyQ33206310
Functional assay and structure-activity relationships of new third-generation P-glycoprotein inhibitorsQ33310540
CyclinPred: a SVM-based method for predicting cyclin protein sequences.Q33348569
Molecular models of human P-glycoprotein in two different catalytic statesQ33401731
Signal transduction pathways and transcriptional mechanisms as targets for prevention of emergence of multidrug resistance in human cancer cellsQ34314971
The inconsistency of "optimal" cutpoints obtained using two criteria based on the receiver operating characteristic curveQ34557148
Internal duplication and homology with bacterial transport proteins in the mdr1 (P-glycoprotein) gene from multidrug-resistant human cells.Q34559072
A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fieldsQ34754007
Discovering natural product modulators to overcome multidrug resistance in cancer chemotherapyQ35915497
What is a support vector machine?Q36679246
A folate receptor-targeting nanoparticle minimizes drug resistance in a human cancer model.Q37172880
Overcoming tumor multidrug resistance using drugs able to evade P-glycoprotein or to exploit its expressionQ37849716
Microparticles and their emerging role in cancer multidrug resistance.Q37901204
A plausible explanation for enhanced bioavailability of P-gp substrates in presence of piperine: simulation for next generation of P-gp inhibitors.Q39302228
Molecular docking studies and in vitro screening of new dihydropyridine derivatives as human MRP1 inhibitorsQ39550936
Multidrug resistance strength of the novel multidrug resistance gene HA117: compared with MRP1.Q39679547
Homology modeling and binding site assessment of the human P-glycoproteinQ39766645
Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitorsQ42326093
Structural flexibility of the linker region of human P-glycoprotein permits ATP hydrolysis and drug transportQ42461714
Combined pharmacophore modeling, docking, and 3D QSAR studies of ABCB1 and ABCC1 transporter inhibitorsQ43273710
Influence of glioma's multidrug resistance phenotype on (99m)Tc-tetrofosmin uptakeQ46402928
P-glycoprotein targeted nanoscale drug carriers.Q51017736
Peptide binding specificities of HLA-B*5701 and B*5801.Q51317293
ADME evaluation in drug discovery. 10. Predictions of P-glycoprotein inhibitors using recursive partitioning and naive Bayesian classification techniques.Q51590505
The conserved tyrosine residues 401 and 1044 in ATP sites of human P-glycoprotein are critical for ATP binding and hydrolysis: evidence for a conserved subdomain, the A-loop in the ATP-binding cassette.Q52668947
The flexibility of P-glycoprotein for its poly-specific drug binding from molecular dynamics simulationsQ58195302
Comparative analysis of binding affinities between styrene and mammalian CYP2E1 by bioinformatics approachesQ83675278
Traceable multifunctional micellar nanocarriers for cancer-targeted co-delivery of MDR-1 siRNA and doxorubicinQ84232704
P433issue12
P304page(s)1067-1073
P577publication date2013-12-10
P1433published inJournal of Computer - Aided Molecular DesignQ15766522
P1476titleCombined QSAR and molecule docking studies on predicting P-glycoprotein inhibitors
P478volume27

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cites work (P2860)
Q38756967Advances in plant-based inhibitors of P-glycoprotein
Q64110057An Energetically Favorable Ligand Entrance Gate of a Multidrug Transporter Revealed by Partial Nudged Elastic Band Simulations
Q38715008Computational modeling to predict the functions and impact of drug transporters.
Q38902467Enzastaurin inhibits ABCB1-mediated drug efflux independently of effects on protein kinase C signalling and the cellular p53 status
Q38390892Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.
Q57176854Molecular Modeling of Drug-Transporter Interactions-An International Transporter Consortium Perspective
Q37114323Screening dietary flavonoids for the reversal of P-glycoprotein-mediated multidrug resistance in cancer

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