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QSAR Models for the Human H+/Peptide Symporter, hPEPT1: Affinity Prediction Using Alignment-Independent Descriptors

https://doi.org/10.1021/ci700346y
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Hierarchical multiblock PLS and PC models for easier model interpretation and as an alternative to variable selection
inferredcites →https://doi.org/10.1002/qsar.200390007openalex-snapshot
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
inferredcites →https://doi.org/10.1002/qsar.200630025openalex-snapshot
A performance evaluation of multiple classification models of human PEPT1 inhibitors and non‐inhibitors
inferredcites →https://doi.org/10.1007/s11095-006-9462-yopenalex-snapshot
Development of a QSAR Model for Binding of Tripeptides and Tripeptidomimetics to the Human Intestinal Di-/Tripeptide Transporter hPEPT1
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Pharmacophore-based discovery of ligands for drug transporters
inferredcites →https://doi.org/10.1016/j.bmc.2004.04.018openalex-snapshot
GRIND/ALMOND investigations on CysLT1 receptor antagonists of the quinolinyl(bridged)aryl type
inferredcites →https://doi.org/10.1016/j.chemolab.2004.04.001openalex-snapshot
D-optimal onion designs in statistical molecular design
inferredcites →https://doi.org/10.1016/j.ejpb.2004.07.008openalex-snapshot
Interaction of 31 β-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1
inferredcites →https://doi.org/10.1016/j.ejps.2005.09.013openalex-snapshot
Computational approaches to modeling drug transporters
inferredcites →https://doi.org/10.1016/j.ejps.2007.06.002openalex-snapshot
Recognition of 2-aminothiazole-4-acetic acid derivatives by the peptide transporters PEPT1 and PEPT2
inferredcites →https://doi.org/10.1016/s0165-6147(02)02072-2openalex-snapshot
Mammalian peptide transporters as targets for drug delivery
inferredcites →https://doi.org/10.1016/s0166-1280(99)00360-7openalex-snapshot
Molecular fields in quantitative structure–permeation relationships: the VolSurf approach
inferredcites →https://doi.org/10.1016/s0928-0987(00)00162-7openalex-snapshot
VolSurf: a new tool for the pharmacokinetic optimization of lead compounds
inferredcites →https://doi.org/10.1016/s0928-0987(03)00142-8openalex-snapshot
The intestinal H+/peptide symporter PEPT1: structure–affinity relationships
inferredcites →https://doi.org/10.1016/s1093-3263(01)00123-1openalex-snapshot
Beware of q2!
inferredcites →https://doi.org/10.1021/ci025516bopenalex-snapshot
QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology
inferredcites →https://doi.org/10.1021/ci600542bopenalex-snapshot
Novel Approach for the Numerical Characterization of Molecular Chirality
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/jm00050a010openalex-snapshot
Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity
inferredcites →https://doi.org/10.1021/jm000941mopenalex-snapshot
GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jm030976xopenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analyses of Peptide Substrates of the Mammalian H+/Peptide Cotransporter PEPT1
inferredcites →https://doi.org/10.1021/jm0311240openalex-snapshot
Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors
inferredcites →https://doi.org/10.1021/jm048982wopenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationship Analyses of β-Lactam Antibiotics and Tripeptides as Substrates of the Mammalian H+/Peptide Cotransporter PEPT1
inferredcites →https://doi.org/10.1021/jm990968+openalex-snapshot
Predicting Blood−Brain Barrier Permeation from Three-Dimensional Molecular Structure
inferredcites →https://doi.org/10.1023/a:1018814627484openalex-snapshot
Intestinal Transport of β-Lactam Antibiotics: Analysis of the Affinity at the H+/Peptide Symporter (PEPT1), the Uptake into Caco-2 Cell Monolayers and the Transepithelial Flux
inferredcites →https://doi.org/10.1023/a:1020869118689openalex-snapshot
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
inferredcites →https://doi.org/10.1023/a:1022450725545openalex-snapshot
Megavariate analysis of hierarchical QSAR data
inferredcites →https://doi.org/10.1074/jbc.273.7.3861openalex-snapshot
Evidence for the Absolute Conformational Specificity of the Intestinal H+/Peptide Symporter, PEPT1
inferredcites →https://doi.org/10.1517/13543776.12.9.1329openalex-snapshot
Human peptide transporters: therapeutic applications
inferredcites →https://doi.org/10.1590/s0103-50532002000600013openalex-snapshot
On the information content of 2D and 3D descriptors for QSAR

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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ENZYMATICALLY ACTIVATED PHOSPHATE AND PHOSPHONATE PRODRUGS
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Transporters in the Gastrointestinal Tract
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ChemInform Abstract: QSAR Models for the Human H+/Peptide Symporter, hPEPT1: Affinity Prediction Using Alignment‐Independent Descriptors.
inferred← citeshttps://doi.org/10.1002/cmdc.200800184openalex-snapshot
Modeling of the Intestinal Peptide Transporter hPepT1 and Analysis of Its Transport Capacities by Docking and Pharmacophore Mapping
inferred← citeshttps://doi.org/10.1002/cmdc.200900145openalex-snapshot
Discovery of Ligands for the Human Intestinal Di‐/Tripeptide Transporter (hPEPT1) Using a QSAR‐Assisted Virtual Screening Strategy
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Evolution of PLS for Modeling SAR and omics Data
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Universal Approach for Structural Interpretation of QSAR/QSPR Models
inferred← citeshttps://doi.org/10.1002/phy2.165openalex-snapshot
Peptide transporter isoforms are discriminated by the fluorophore-conjugated dipeptides β-Ala- and d -Ala-Lys-N-7-amino-4-methylcoumarin-3-acetic acid
inferred← citeshttps://doi.org/10.1007/978-3-642-25240-2_45openalex-snapshot
In-Silico ADME Modeling
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Drug Transporters as Therapeutic Targets: Computational Models, Challenges, and Future Perspective
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In Silico Search for Chiral Drug Compounds
inferred← citeshttps://doi.org/10.1007/s11095-012-0935-xopenalex-snapshot
Human Intestinal Transporter Database: QSAR Modeling and Virtual Profiling of Drug Uptake, Efflux and Interactions
inferred← citeshttps://doi.org/10.1016/s1773-2247(13)50047-5openalex-snapshot
Current status of rational design of prodrugs targeting the intestinal di/tri-peptide transporter hPEPT1 (SLC15A1)
inferred← citeshttps://doi.org/10.1021/jm4004285openalex-snapshot
QSAR Modeling: Where Have You Been? Where Are You Going To?
inferred← citeshttps://doi.org/10.1021/mp100186bopenalex-snapshot
Serine Side Chain-Linked Peptidomimetic Conjugates of Cyclic HPMPC and HPMPA: Synthesis and Interaction with hPEPT1
inferred← citeshttps://doi.org/10.1021/mp300663jopenalex-snapshot
Evolution of an Amino Acid Based Prodrug Approach: Stay Tuned
inferred← citeshttps://doi.org/10.1080/1062936x.2016.1216010openalex-snapshot
Structure-based model profiles affinity constant of drugs with hPEPT1 for rapid virtual screening of hPEPT1’s substrate
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00837.xopenalex-snapshot
QSAR Studies on Antiepileptic and Locomotorin vivoActivities of 4,5‐diphenyl‐1H‐Imidazoles
inferred← citeshttps://doi.org/10.1186/1423-0127-17-71openalex-snapshot
Evidence of d-phenylglycine as delivering tool for improving l-dopa absorption
inferred← citeshttps://doi.org/10.1208/s12248-010-9195-zopenalex-snapshot
A Quantitative Structure–Activity Relationship for Translocation of Tripeptides via the Human Proton-Coupled Peptide Transporter, hPEPT1 (SLC15A1)
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Advanced PLS Techniques in Chemometrics and Their Applications to Molecular Design
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