On the public citation graph
Predicting Drug Metabolism: A Site of Metabolism Prediction Tool Applied to the Cytochrome P450 2C9
0 signed · 173 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1001/jama.1938.02790380010004openalex-snapshot
SODIUM DIPHENYL HYDANTOINATE IN THE TREATMENT OF CONVULSIVE DISORDERS
inferredcites →https://doi.org/10.1001/jama.1938.02790380015005openalex-snapshot
RECENT RESEARCHES IN NUTRITION IN RELATION TO PREVENTIVE MEDICINE
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19990715)20:9<911::aid-jcc2>3.0.co;2-oopenalex-snapshot
Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example
inferredcites →https://doi.org/10.1002/1099-081x(199911)20:8<385::aid-bdd203>3.0.co;2-7openalex-snapshot
Inhibition of human cytochrome P450 isoformsin vitro by zafirlukast
inferredcites →https://doi.org/10.1002/j.1552-4604.1997.tb04781.xopenalex-snapshot
Biotransformation of Mestranol to Ethinyl Estradiol In Vitro: The Role of Cytochrome P‐450 2C9 and Metabolic Inhibitors
inferredcites →https://doi.org/10.1006/abbi.2000.1705openalex-snapshot
Identification of CYP2C9 as a Human Liver Microsomal Linoleic Acid Epoxygenase
inferredcites →https://doi.org/10.1006/jmbi.1996.0897openalex-snapshot
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
inferredcites →https://doi.org/10.1016/0006-2952(94)00457-wopenalex-snapshot
Hydroxylation of the antimalarial drug 58C80 by CYP2C9 in human liver microsomes: Comparison with mephenytoin and tolbutamide hydroxylations
inferredcites →https://doi.org/10.1016/0006-2952(95)00048-5openalex-snapshot
Role of cytochrome P450 2C9 and an allelic variant in the 4′-hydroxylation of (R)- and (S)-flurbiprofen
inferredcites →https://doi.org/10.1016/0006-2952(96)00501-1openalex-snapshot
Studies of Flurbiprofen 4′-Hydroxylation
inferredcites →https://doi.org/10.1016/0006-2952(96)85085-4openalex-snapshot
Cytochromes P450, 1A2, and 2C9 are responsible for the human hepatic O-demethylation of R- and S-naproxen
inferredcites →https://doi.org/10.1016/0009-9236(95)90054-3openalex-snapshot
In vivo inhibition profile of cytochrome P450TB (CYP2C9) by (±)-fluvastatin*
inferredcites →https://doi.org/10.1016/s0006-2952(97)00143-3openalex-snapshot
Regioselective and stereoselective metabolism of ibuprofen by human cytochrome P450 2C
inferredcites →https://doi.org/10.1016/s0006-2952(98)00060-4openalex-snapshot
Prosubstrates of CYP3A4, the Major Human Hepatic Cytochrome P450
inferredcites →https://doi.org/10.1016/s0006-2952(98)00133-6openalex-snapshot
Comparative Studies on the Catalytic Roles of Cytochrome P450 2C9 and Its Cys- and Leu-Variants in the Oxidation of Warfarin, Flurbiprofen, and Diclofenac by Human Liver Microsomes
inferredcites →https://doi.org/10.1016/s0006-2952(99)00167-7openalex-snapshot
Hepatic metabolism of diclofenac: role of human CYP in the minor oxidative pathways
inferredcites →https://doi.org/10.1016/s0009-9236(99)80077-0openalex-snapshot
Lack of effect of HIV protease inhibitions on sulfamethoxazole hydroxylamine production
inferredcites →https://doi.org/10.1016/s0009-9236(99)80081-2openalex-snapshot
Absence of apoptosis in the presence of reactive cefaclor metabolites
inferredcites →https://doi.org/10.1016/s0026-895x(24)09261-7openalex-snapshot
Competitive CYP2C9 Inhibitors: Enzyme Inhibition Studies, Protein Homology Modeling, and Three-Dimensional Quantitative Structure-Activity Relationship Analysis
inferredcites →https://doi.org/10.1016/s0090-9556(25)07237-xopenalex-snapshot
Three-dimensional quantitative structure-activity relationship for inhibitors of cytochrome P4502C9.
inferredcites →https://doi.org/10.1016/s1097-2765(00)80408-6openalex-snapshot
Mammalian Microsomal Cytochrome P450 Monooxygenase
inferredcites →https://doi.org/10.1021/bi00033a007openalex-snapshot
The Substrate Binding Site of Human Liver Cytochrome P450 2C9: An Approach Using Designed Tienilic Acid Derivatives and Molecular Modeling
inferredcites →https://doi.org/10.1021/bi970527xopenalex-snapshot
The Substrate Binding Site of Human Liver Cytochrome P450 2C9: An NMR Study
inferredcites →https://doi.org/10.1021/ja00175a040openalex-snapshot
Theoretical studies on cytochrome P-450 mediated hydroxylation: a predictive model for hydrogen atom abstractions
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm00145a003openalex-snapshot
Comparative computer graphics and solution studies of the DNA interaction of substituted anthraquinones based on doxorubicin and mitoxantrone
inferredcites →https://doi.org/10.1021/jm0109107openalex-snapshot
Analysis of Selective Regions in the Active Sites of Human Cytochromes P450, 2C8, 2C9, 2C18, and 2C19 Homology Models Using GRID/CPCA
inferredcites →https://doi.org/10.1021/tx00025a009openalex-snapshot
Hydroxylation of warfarin by human cDNA-expressed cytochrome P-450: a role for P-4502C9 in the etiology of (S)-warfarin-drug interactions
inferredcites →https://doi.org/10.1021/tx9802217openalex-snapshot
Roles of Human Hepatic Cytochrome P450s 2C9 and 3A4 in the Metabolic Activation of Diclofenac
inferredcites →https://doi.org/10.1023/a:1007907728892openalex-snapshot
QXP: Powerful, rapid computer algorithms for structure-based drug design
inferredcites →https://doi.org/10.1023/a:1008023427310openalex-snapshot
A hybrid approach for addressing ring flexibility in 3D database searching
inferredcites →https://doi.org/10.1042/bj2890533openalex-snapshot
Site-directed mutation studies of human liver cytochrome P -450 isoenzymes in the CYP2C subfamily
inferredcites →https://doi.org/10.1067/mcp.2000.103860openalex-snapshot
In vivo effects of interleukin-10 on human cytochrome P450 activity
inferredcites →https://doi.org/10.1080/004982599238146openalex-snapshot
Identification of human cytochrome P450 isoforms involved in the metabolism ofS-2-[4-(3-methyl-2-thienyl)phenyl]propionic acid
inferredcites →https://doi.org/10.1097/00008571-200011000-00010openalex-snapshot
The possession of the CYP2C9*3 allele is associated with low dose requirement of acenocoumarol
inferredcites →https://doi.org/10.1126/science.287.5458.1615openalex-snapshot
The Catalytic Pathway of Cytochrome P450cam at Atomic Resolution
inferredcites →https://doi.org/10.1126/science.287.5458.1622openalex-snapshot
Mid-Pleistocene Acheulean-like Stone Technology of the Bose Basin, South China
inferredcites →https://doi.org/10.1515/dmdi.1999.15.1.1openalex-snapshot
Cytochrome P450 Substrate Specificities, Substrate Structural Templates and Enzyme Active Site Geometries
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/3527600906.mcb.200300009openalex-snapshot
Biotransformations of Drugs and Chemicals
inferred← citeshttps://doi.org/10.1002/9781118541203.xen0019openalex-snapshot
Computational Approaches in Drug Biotransformation Studies: Metabolite Prediction
inferred← citeshttps://doi.org/10.1002/9781394167258.ch11openalex-snapshot
Prediction of Drug Toxicity Through Machine Learning
inferred← citeshttps://doi.org/10.1002/9783527611249.ch24openalex-snapshot
Life Science Applications of Fukui Functions
inferred← citeshttps://doi.org/10.1002/9783527619368.ch19openalex-snapshot
Efficient Strategies for Lead Optimization by Simultaneously Addressing Affinity, Selectivity and Pharmacokinetic Parameters
inferred← citeshttps://doi.org/10.1002/9783527621460.ch10openalex-snapshot
Site of Metabolism Predictions: Facts and Experiences
inferred← citeshttps://doi.org/10.1002/9783527621460.ch12openalex-snapshot
MetaSite: Understanding CYP Antitarget Modeling for Early Toxicity Detection
inferred← citeshttps://doi.org/10.1002/9783527623860.ch17openalex-snapshot
Simulations of Absorption, Metabolism, and Bioavailability
inferred← citeshttps://doi.org/10.1002/9783527673261.ch08openalex-snapshot
Experimental Approaches to Analysis of Reactions of Cytochrome P450 Enzymes
inferred← citeshttps://doi.org/10.1002/9783527673261.ch09openalex-snapshot
Molecular Interaction Fields for Predicting the Sites and Products of Metabolism
inferred← citeshttps://doi.org/10.1002/ajoc.202400639openalex-snapshot
C−H Methylthiolation/d3‐Methylthiolation of Pyrazole Skeleton via Interrupted Pummerer Reaction
inferred← citeshttps://doi.org/10.1002/cbdv.200590064openalex-snapshot
Predicting Drug Metabolism - An Evaluation of the Expert SystemMETEOR
inferred← citeshttps://doi.org/10.1002/celc.201900117openalex-snapshot
Metabolism‐Inspired Electrosynthesis
inferred← citeshttps://doi.org/10.1002/cmdc.200700312openalex-snapshot
SyGMa: Combining Expert Knowledge and Empirical Scoring in the Prediction of Metabolites
inferred← citeshttps://doi.org/10.1002/cmdc.200800355openalex-snapshot
SHOP: A Method For Structure‐Based Fragment and Scaffold Hopping
inferred← citeshttps://doi.org/10.1002/cmdc.200900363openalex-snapshot
Fast Prediction of Cytochrome P450 Mediated Drug Metabolism
inferred← citeshttps://doi.org/10.1002/cmdc.201000358openalex-snapshot
Probing Small‐Molecule Binding to Cytochrome P450 2D6 and 2C9: An In Silico Protocol for Generating Toxicity Alerts
inferred← citeshttps://doi.org/10.1002/cmdc.201200160openalex-snapshot
Predicting Drug Metabolism by Cytochrome P450 2C9: Comparison with the 2D6 and 3A4 Isoforms
inferred← citeshttps://doi.org/10.1002/jssc.202000831openalex-snapshot
Metabolic stability studies of lead compounds supported by separation techniques and chemometrics analysis
inferred← citeshttps://doi.org/10.1002/minf.201000066openalex-snapshot
Wavelet Approximation of GRID Fields: Application to Quantitative Structure‐Activity Relationships
inferred← citeshttps://doi.org/10.1002/qsar.200430925openalex-snapshot
Prediction of Human Cytochrome P450 Inhibition Using Support Vector Machines
inferred← citeshttps://doi.org/10.1002/rcm.4753openalex-snapshot
Enhanced metabolite identification with MS E and a semi‐automated software for structural elucidation
inferred← citeshttps://doi.org/10.1002/wcms.1150openalex-snapshot
Molecular interaction fields in drug discovery: recent advances and future perspectives
inferred← citeshttps://doi.org/10.1007/978-0-387-44961-6_9openalex-snapshot
Computational Models Supporting Lead Optimization in Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-0-387-77300-1_1openalex-snapshot
Metabolic Concerns in Drug Design
inferred← citeshttps://doi.org/10.1007/978-3-319-50042-3_4openalex-snapshot
In Silico ADME Techniques Used in Early-Phase Drug Discovery
inferred← citeshttps://doi.org/10.1007/978-3-540-30478-4_17openalex-snapshot
Cytochrome P450 Classification of Drugs with Support Vector Machines Implementing the Nearest Point Algorithm
inferred← citeshttps://doi.org/10.1007/978-3-540-74268-5_3openalex-snapshot
From Molecular Modeling to Drug Design
inferred← citeshttps://doi.org/10.1007/978-90-481-2339-1_5openalex-snapshot
Integrating Crystallography into Early Metabolism Studies
inferred← citeshttps://doi.org/10.1007/s00216-008-2244-0openalex-snapshot
Substrate binding to cytochromes P450
inferred← citeshttps://doi.org/10.1007/s00894-010-0903-5openalex-snapshot
Exploration of the binding of proton pump inhibitors to human P450 2C9 based on docking and molecular dynamics simulation
inferred← citeshttps://doi.org/10.1007/s10549-005-9083-xopenalex-snapshot
Lactandrate: a D-homo-aza-androsterone alkylator in the treatment of breast cancer
inferred← citeshttps://doi.org/10.1007/s10593-011-0754-8openalex-snapshot
Properties of haloimidazoles (review)
inferred← citeshttps://doi.org/10.1007/s10822-007-9137-8openalex-snapshot
Effective virtual screening protocol for CYP2C9 ligands using a screening site constructed from flurbiprofen and S-warfarin pockets
inferred← citeshttps://doi.org/10.1007/s10822-008-9176-9openalex-snapshot
Evaluation of descriptors and classification schemes to predict cytochrome substrates in terms of chemical information
inferred← citeshttps://doi.org/10.1007/s10822-008-9225-4openalex-snapshot
Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction
inferred← citeshttps://doi.org/10.1007/s10822-010-9347-3openalex-snapshot
Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach
inferred← citeshttps://doi.org/10.1007/s10858-006-0005-yopenalex-snapshot
Structural Studies of Bcl-xL/ligand Complexes using 19F NMR
inferred← citeshttps://doi.org/10.1007/s11095-006-9199-7openalex-snapshot
Predicting the Oxidative Metabolism of Statins: An Application of the MetaSite® Algorithm
inferred← citeshttps://doi.org/10.1007/s12668-017-0499-7openalex-snapshot
Prediction of Aromatic Hydroxylation Sites for Human CYP1A2 Substrates Using Condensed Graph of Reactions
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00140-1openalex-snapshot
Use of Molecular Descriptors for Absorption, Distribution, Metabolism, and Excretion Predictions
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00150-4openalex-snapshot
Comprehensive Expert Systems to Predict Drug Metabolism
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00277-7openalex-snapshot
New Applications for Structure-Based Drug Design
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12353-4openalex-snapshot
Lessons and Successes in the Use of Molecular Fields
inferred← citeshttps://doi.org/10.1016/b978-0-323-95120-3.00001-4openalex-snapshot
Computational approaches for drug-metabolizing enzymes: Concepts and challenges
inferred← citeshttps://doi.org/10.1016/j.addr.2015.04.020openalex-snapshot
Prediction of cytochrome P450 mediated metabolism
inferred← citeshttps://doi.org/10.1016/j.bmc.2005.04.066openalex-snapshot
Theoretical quantitative structure–activity relationships of flavone ligands interacting with cytochrome P450 1A1 and 1A2 isozymes
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.02.008openalex-snapshot
In silico ADME modelling 2: Computational models to predict human serum albumin binding affinity using ant colony systems
inferred← citeshttps://doi.org/10.1016/j.cbpa.2004.06.008openalex-snapshot
Integrating virtual screening in lead discovery
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2008.11.002openalex-snapshot
SPORCalc: A development of a database analysis that provides putative metabolic enzyme reactions for ligand-based drug design
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2024.108172openalex-snapshot
E-pharmacophore and deep learning based high throughput virtual screening for identification of CDPK1 inhibitors of Cryptosporidium parvum
inferred← citeshttps://doi.org/10.1016/j.ddtec.2012.10.015openalex-snapshot
High-throughput, computer assisted, specific MetID. A revolution for drug discovery
inferred← citeshttps://doi.org/10.1016/j.ddtec.2012.11.001openalex-snapshot
Exposition and reactivity optimization to predict sites of metabolism in chemicals
inferred← citeshttps://doi.org/10.1016/j.ddtec.2012.12.001openalex-snapshot
Software aided approaches to structure-based metabolite identification in drug discovery and development
inferred← citeshttps://doi.org/10.1016/j.ejmech.2006.03.003openalex-snapshot
Computational approaches for predicting CYP-related metabolism properties in the screening of new drugs
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.05.067openalex-snapshot
Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures
inferred← citeshttps://doi.org/10.1016/j.fct.2015.09.009openalex-snapshot
Hazard identification of cis/trans-zearalenone through the looking-glass
inferred← citeshttps://doi.org/10.1016/j.jfluchem.2014.02.001openalex-snapshot
Application of fluorine-containing non-steroidal anti-androgen compounds in treating prostate cancer
inferred← citeshttps://doi.org/10.1016/j.jmgm.2004.03.009openalex-snapshot
Modelling in vitro hepatotoxicity using molecular interaction fields and SIMCA
inferred← citeshttps://doi.org/10.1016/j.toxicon.2017.08.008openalex-snapshot
An in silico perspective on the toxicodynamic of tetrodotoxin and analogues – A tool for supporting the hazard identification
inferred← citeshttps://doi.org/10.1016/j.toxrep.2015.03.005openalex-snapshot
Ergot alkaloids: From witchcraft till in silico analysis. Multi-receptor analysis of ergotamine metabolites
inferred← citeshttps://doi.org/10.1016/s1574-1400(07)03005-8openalex-snapshot
Chapter 5 Linear Quantitative Structure–Activity Relationships for the Interaction of Small Molecules with Human Cytochrome P450 Isoenzymes
inferred← citeshttps://doi.org/10.1021/ac502234xopenalex-snapshot
Enhanced Enzymatic Reactivity for Electrochemically Driven Drug Metabolism by Confining Cytochrome P450 Enzyme in TiO2Nanotube Arrays
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.0c00417openalex-snapshot
Modeling the Bioactivation and Subsequent Reactivity of Drugs
inferred← citeshttps://doi.org/10.1021/acs.chemrestox.6b00385openalex-snapshot
Deep Learning to Predict the Formation of Quinone Species in Drug Metabolism
inferred← citeshttps://doi.org/10.1021/acscentsci.5b00131openalex-snapshot
Modeling Epoxidation of Drug-like Molecules with a Deep Machine Learning Network
inferred← citeshttps://doi.org/10.1021/acscentsci.6b00162openalex-snapshot
Modeling Reactivity to Biological Macromolecules with a Deep Multitask Network
inferred← citeshttps://doi.org/10.1021/acsnano.5b00142openalex-snapshot
Piezotronic-Effect Enhanced Drug Metabolism and Sensing on a Single ZnO Nanowire Surface with the Presence of Human Cytochrome P450
inferred← citeshttps://doi.org/10.1021/acsomega.9b02344openalex-snapshot
Lipophilic Metabolic Efficiency (LipMetE) and Drug Efficiency Indices to Explore the Metabolic Properties of the Substrates of Selected Cytochrome P450 Isoforms
inferred← citeshttps://doi.org/10.1021/ci049626popenalex-snapshot
Virtual Screening and Scaffold Hopping Based on GRID Molecular Interaction Fields
inferred← citeshttps://doi.org/10.1021/ci049834hopenalex-snapshot
A New Statistical Approach to Predicting Aromatic Hydroxylation Sites. Comparison with Model-Based Approaches
inferred← citeshttps://doi.org/10.1021/ci200203hopenalex-snapshot
Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase
inferred← citeshttps://doi.org/10.1021/ci200348hopenalex-snapshot
Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment
inferred← citeshttps://doi.org/10.1021/ci200542mopenalex-snapshot
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms
inferred← citeshttps://doi.org/10.1021/ci300009zopenalex-snapshot
RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes
inferred← citeshttps://doi.org/10.1021/ci600376qopenalex-snapshot
Reaction Site Mapping of Xenobiotic Biotransformations
inferred← citeshttps://doi.org/10.1021/ci800001mopenalex-snapshot
Regioselectivity Prediction of CYP1A2-Mediated Phase I Metabolism
inferred← citeshttps://doi.org/10.1021/ci800105popenalex-snapshot
Targets Looking for Drugs: A Multistep Computational Protocol for the Development of Structure-Based Pharmacophores and Their Applications for Hit Discovery
inferred← citeshttps://doi.org/10.1021/ci900011gopenalex-snapshot
EaMEAD: Activation Energy Prediction of Cytochrome P450 Mediated Metabolism with Effective Atomic Descriptors
inferred← citeshttps://doi.org/10.1021/ci900074topenalex-snapshot
Novel Application of 2D and 3D-Similarity Searches To Identify Substrates among Cytochrome P450 2C9, 2D6, and 3A4
inferred← citeshttps://doi.org/10.1021/cr030440jopenalex-snapshot
Modeling Kinetics of Subcellular Disposition of Chemicals
inferred← citeshttps://doi.org/10.1021/cr300314qopenalex-snapshot
Integrated Approach to Structure-Based Enzymatic Drug Design: Molecular Modeling, Spectroscopy, and Experimental Bioactivity
inferred← citeshttps://doi.org/10.1021/ct700313jopenalex-snapshot
Transition-State Docking of Flunitrazepam and Progesterone in Cytochrome P450
inferred← citeshttps://doi.org/10.1021/jasms.9b00034openalex-snapshot
LipostarMSI: Comprehensive, Vendor-Neutral Software for Visualization, Data Analysis, and Automated Molecular Identification in Mass Spectrometry Imaging
inferred← citeshttps://doi.org/10.1021/jm049024xopenalex-snapshot
Pharmacophore, Drug Metabolism, and Pharmacokinetics Models on Non-Peptide AT1, AT2, and AT1/AT2 Angiotensin II Receptor Antagonists
inferred← citeshttps://doi.org/10.1021/jm049650uopenalex-snapshot
Binding Mode Prediction of Cytochrome P450 and Thymidine Kinase Protein−Ligand Complexes by Consideration of Water and Rescoring in Automated Docking
inferred← citeshttps://doi.org/10.1021/jm070745gopenalex-snapshot
CYP2C9 Structure−Metabolism Relationships: Substrates, Inhibitors, and Metabolites
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/jm7009793openalex-snapshot
Prediction of Metabolism by Cytochrome P450 2C9: Alignment and Docking Studies of a Validated Database of Substrates
inferred← citeshttps://doi.org/10.1023/b:jcam.0000035184.11906.c2openalex-snapshot
Model based on GRID-derived descriptors for estimating CYP3A4 enzyme stability of potential drug candidates
inferred← citeshttps://doi.org/10.1038/s41467-020-16201-zopenalex-snapshot
Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost
inferred← citeshttps://doi.org/10.1039/9781782622376-00001openalex-snapshot
How Physicochemical Properties of Drugs Affect Their Metabolism and Clearance
inferred← citeshttps://doi.org/10.1039/9781849735377-00104openalex-snapshot
Bioavailability Prediction at Early Drug Discovery Stages: In Vitro Assays and Simple Physico-Chemical Rules
inferred← citeshttps://doi.org/10.1039/c2cc33575aopenalex-snapshot
Electrochemically driven drug metabolism via cytochrome P450 2C9 isozyme microsomes with cytochrome P450 reductase and indium tin oxide nanoparticle composites
inferred← citeshttps://doi.org/10.1039/c5mb00118hopenalex-snapshot
Predicting the binding modes and sites of metabolism of xenobiotics
inferred← citeshttps://doi.org/10.1039/c6md00537copenalex-snapshot
Design, synthesis and anticonvulsant-analgesic activity of new N-[(phenoxy)alkyl]- and N-[(phenoxy)ethoxyethyl]aminoalkanols
inferred← citeshttps://doi.org/10.1039/d2md00206jopenalex-snapshot
Pyrazole-containing pharmaceuticals: target, pharmacological activity, and their SAR studies
inferred← citeshttps://doi.org/10.1063/1.4727854openalex-snapshot
Electron attachment to antipyretics: Possible implications of their metabolic pathways
inferred← citeshttps://doi.org/10.1080/03602530600969374openalex-snapshot
State-of-the-art Tools for Computational Site of Metabolism Predictions: Comparative Analysis, Mechanistical Insights, and Future Applications
inferred← citeshttps://doi.org/10.1080/07391102.2005.10507063openalex-snapshot
Regiospecificity of Human Cytochrome P450 1A1-Mediated Oxidations: The Role of Steric Effects
inferred← citeshttps://doi.org/10.1089/aivt.2015.0003openalex-snapshot
Review of the Availability of In Vitro and In Silico Methods for Assessing Dermal Bioavailability
inferred← citeshttps://doi.org/10.1107/s1600536812015310openalex-snapshot
4,5-Dibromo-1,2-dimethyl-1H-imidazol-3-ium bromide
inferred← citeshttps://doi.org/10.1111/cbdd.12582openalex-snapshot
Heat‐Shock Protein 90 (Hsp90) as Anticancer Target for Drug Discovery: An Ample Computational Perspective
inferred← citeshttps://doi.org/10.1124/dmd.105.008631openalex-snapshot
COMPARISON OF METHODS FOR THE PREDICTION OF THE METABOLIC SITES FOR CYP3A4-MEDIATED METABOLIC REACTIONS
inferred← citeshttps://doi.org/10.1124/dmd.108.022376openalex-snapshot
The Molecular Basis of CYP2D6-Mediated N-Dealkylation: Balance between Metabolic Clearance Routes and Enzyme Inhibition
inferred← citeshttps://doi.org/10.1124/dmd.108.026112openalex-snapshot
Utility of MetaSite in Improving Metabolic Stability of the Neutral Indomethacin Amide Derivative and Selective Cyclooxygenase-2 Inhibitor 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-phenethyl-acetamide
inferred← citeshttps://doi.org/10.1124/dmd.32.11.1218openalex-snapshot
STRUCTURAL ANALYSIS OF CYP2C9 AND CYP2C5 AND AN EVALUATION OF COMMONLY USED MOLECULAR MODELING TECHNIQUES
inferred← citeshttps://doi.org/10.1134/s1068162016040129openalex-snapshot
Synthesis of new 1-alkyl-, 1-benzyl-, and 1-aryloxyethyl-substituted 4,5-dichloroimidazoles and their antimicrobial, protistocidal, and fungistatic properties
inferred← citeshttps://doi.org/10.1146/annurev.pharmtox.45.120403.095821openalex-snapshot
CLINICAL AND TOXICOLOGICAL RELEVANCE OF CYP2C9: Drug-Drug Interactions and Pharmacogenetics
inferred← citeshttps://doi.org/10.1158/1078-0432.22439589openalex-snapshot
Supplementary Data from The Effect of Ketoconazole on the Pharmacokinetics and Pharmacodynamics of Ixabepilone: A First in Class Epothilone B Analogue in Late-Phase Clinical Development
inferred← citeshttps://doi.org/10.1158/1078-0432.22439589.v1openalex-snapshot
Supplementary Data from The Effect of Ketoconazole on the Pharmacokinetics and Pharmacodynamics of Ixabepilone: A First in Class Epothilone B Analogue in Late-Phase Clinical Development
inferred← citeshttps://doi.org/10.11606/d.75.2011.tde-17042012-103806openalex-snapshot
Sobre os estudos metabólicos de fármacos empregando-se atividade enzimática de CYP450 visando-se estabelecer correlações entre estrutura e atividade
inferred← citeshttps://doi.org/10.11606/d.75.2012.tde-17042012-103806openalex-snapshot
Sobre os estudos metabólicos de fármacos empregando-se atividade enzimática de CYP450 visando-se estabelecer correlações entre estrutura e atividade
inferred← citeshttps://doi.org/10.1371/journal.pone.0098096openalex-snapshot
Mass Spectrometry Based Identification of Geometric Isomers during Metabolic Stability Study of a New Cytotoxic Sulfonamide Derivatives Supported by Quantitative Structure-Retention Relationships
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:449openalex-snapshot
Prediction of Drug-Like Molecular Properties
inferred← citeshttps://doi.org/10.1517/17425255.2.3.471openalex-snapshot
4SCan/vADME: intelligent library screening as a shortcut from hits to lead compounds
inferred← citeshttps://doi.org/10.1517/17425255.2.4.545openalex-snapshot
Structure-based methods for the prediction of drug metabolism
inferred← citeshttps://doi.org/10.1517/17425255.2.4.591openalex-snapshot
The road map to oral bioavailability: an industrial perspective
inferred← citeshttps://doi.org/10.1517/17425255.2011.553599openalex-snapshot
In silicosite of metabolism prediction of cytochrome P450-mediated biotransformations
inferred← citeshttps://doi.org/10.1517/17425255.2011.611501openalex-snapshot
Computational modeling of P450s for toxicity prediction
inferred← citeshttps://doi.org/10.17192/z2007.0753openalex-snapshot
Leitstrukturoptimierung für Antiprotozoika und Erfolgreiche Leitstruktursuche für Metalloproteinasen: Ein Fragment-basiertes Virtuelles Screening Verfahren
inferred← citeshttps://doi.org/10.17863/cam.16274openalex-snapshot
Molecular Similarity and Xenobiotic Metabolism
inferred← citeshttps://doi.org/10.2165/00003088-200342060-00002openalex-snapshot
Metabolic Stability for Drug Discovery and Development
inferred← citeshttps://doi.org/10.2174/0118756298380223250710210504openalex-snapshot
Pyrazole and its Derivatives: Chemistry and Biological Importance
inferred← citeshttps://doi.org/10.2174/1385272824666191213123930openalex-snapshot
An Overview of Recent Advances in Biological and Pharmaceutical Developments of Fluoro-containing Drugs
inferred← citeshttps://doi.org/10.2174/138620711795508412openalex-snapshot
In Silico Prediction of Cytochrome P450-Mediated Drug Metabolism
inferred← citeshttps://doi.org/10.2174/138920011795713670openalex-snapshot
Molecular Modeling Used to Evaluate CYP2C9-Dependent Metabolism: Homology Modeling, Molecular Dynamics and Docking Simulations
inferred← citeshttps://doi.org/10.2174/1389200215666140908102530openalex-snapshot
In silico Prediction of Drug Metabolism by P450
inferred← citeshttps://doi.org/10.2788/94537openalex-snapshot
Review of QSAR Models and Software Tools for predicting Biokinetic Properties
inferred← citeshttps://doi.org/10.3109/14756366.2015.1021253openalex-snapshot
Simple chalcones and bis-chalcones ethers as possible pleiotropic agents
inferred← citeshttps://doi.org/10.3389/fphar.2015.00123openalex-snapshot
Modeling of interactions between xenobiotics and cytochrome P450 (CYP) enzymes
inferred← citeshttps://doi.org/10.4155/fmc.10.229openalex-snapshot
Structural Features of Cytochromes P450 and Ligands that Affect Drug Metabolism as Revealed by X-Ray Crystallography and NMR
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.