Computational models to assign biopharmaceutics drug disposition classification from molecular structure (Q40175522)

18 September 2017

title

Computational models to assign biopharmaceutics drug disposition classification from molecular structure (English)

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18 September 2017

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6

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18 September 2017

Peter W Swaan

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author name string

Akash Khandelwal

1

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18 September 2017

Praveen M Bahadduri

2

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18 September 2017

Cheng Chang

3

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18 September 2017

James E Polli

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18 September 2017

publication date

11 September 2007

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18 September 2017

published in

Pharmaceutical Research

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18 September 2017

volume

24

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18 September 2017

issue

12

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18 September 2017

page(s)

2249-2262

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Preclinical pharmacokinetics of benznidazole

18 September 2017

cites work

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https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

The disposition of amodiaquine in man after oral administration

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Ascorbic acid increases drug accumulation and reverses vincristine resistance of human non-small-cell lung-cancer cells

21 January 2018

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Inhibitory effect of human immunodeficiency virus protease inhibitors on multidrug resistance transporter P-glycoproteins

21 January 2018

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https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

A possible cytochrome P-450-mediated N-oxidation of diethylcarbamazine

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

Influence of drugs interacting with CYP3A4 on the pharmacokinetics, pharmacodynamics, and safety of the prandial glucose regulator repaglinide

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

Duration of effect of single daily dose methyldopa therapy

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

The bioavailability and pharmacokinetics of morphine after intravenous, oral and buccal administration in healthy volunteers

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

Pharmacokinetics of varying doses of nicotinamide and tumour radiosensitisation with carbogen and nicotinamide: clinical considerations

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

Kinetics and metabolism of paracetamol and phenacetin

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

The multiple dose pharmacokinetics of proguanil

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

Pharmacokinetics of intravenous and oral salbutamol and its sulphate conjugate

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

In vitro and in vivo disposition and metabolism of 3'-deoxy-2',3'-didehydrothymidine

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11095-007-9435-9

Pilot study on the absolute and relative bioavailability of Synthroid and Levothroid, two brands of sodium levothyroxine

21 January 2018

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12 December 2020

Greater than the sum of its parts: combining models for useful ADMET prediction

1 reference

12 December 2020

Acetaminophen metabolism by cytochrome P450 monooxygenases in Parkinson's disease

1 reference

12 December 2020

Identification of CYP3A4 and CYP2C8 as the major cytochrome P450 s responsible for morphine N-demethylation in human liver microsomes

1 reference

12 December 2020

Population pharmacokinetics and therapeutic response of CGP 56697 (artemether + benflumetol) in malaria patients

1 reference

12 December 2020

Pharmacokinetics of didanosine in patients with acquired immunodeficiency syndrome or acquired immunodeficiency syndrome-related complex.

1 reference

12 December 2020

Clinical pharmacokinetics of sulphasalazine, its metabolites and other prodrugs of 5-aminosalicylic acid

1 reference

12 December 2020

Clinical pharmacology and therapeutic potential of artemisinin and its derivatives in the treatment of malaria

1 reference

12 December 2020

Involvement of human cytochrome P450 3A4 in reduced haloperidol oxidation

1 reference

12 December 2020

Summary workshop report: biopharmaceutics classification system--implementation challenges and extension opportunities

1 reference

12 December 2020

A clinical and pharmacokinetic trial of six doses of artemether-lumefantrine for multidrug-resistant Plasmodium falciparum malaria in Thailand

1 reference

12 December 2020

Effect of enzyme inducing anticonvulsants on ethosuximide pharmacokinetics in epileptic patients

1 reference

12 December 2020

Hepatic drug metabolizing enzyme induction and serum triacylglycerol elevation in rats treated with chlordiazepoxide, griseofulvin, rifampicin and phenytoin

1 reference

12 December 2020

Absorption classification of oral drugs based on molecular surface properties

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12 December 2020

Levothyroxine up-regulates P-glycoprotein independent of the pregnane X receptor

1 reference

12 December 2020

Clinical pharmacokinetics of D-penicillamine

1 reference

12 December 2020

Activation of the microsomal glutathione S-transferase by metabolites of alpha-methyldopa

1 reference

12 December 2020

Identification of human cytochrome P(450)s that metabolise anti-parasitic drugs and predictions of in vivo drug hepatic clearance from in vitro data

1 reference

12 December 2020

Analysis of P-glycoprotein-mediated membrane transport in human peripheral blood lymphocytes using the UIC2 shift assay.

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12 December 2020

Identification and relative contributions of human cytochrome P450 isoforms involved in the metabolism of glibenclamide and lansoprazole: evaluation of an approach based on the in vitro substrate disappearance rate

1 reference

12 December 2020

In vitro blood-brain barrier permeability of nevirapine compared to other HIV antiretroviral agents

1 reference

12 December 2020

Salicylate accumulation kinetics in man

1 reference

12 December 2020

Clinical pharmacokinetics of amlodipine

1 reference

12 December 2020

Bioavailability and pharmacokinetics of etoposide (VP-16)

1 reference

12 December 2020

Identification of the human P450 enzymes involved in the in vitro metabolism of the synthetic steroidal hormones Org 4060 and Org 30659.

1 reference

12 December 2020

Coordinated action of glutathione S-transferases (GSTs) and multidrug resistance protein 1 (MRP1) in antineoplastic drug detoxification. Mechanism of GST A1-1- and MRP1-associated resistance to chlorambucil in MCF7 breast carcinoma cells

1 reference

12 December 2020

Effect of cefixime and cefdinir, oral cephalosporins, on cytochrome P450 activities in human hepatic microsomes

1 reference

12 December 2020

DrugBank: a comprehensive resource for in silico drug discovery and exploration

1 reference

12 December 2020

Characterization of the cytochrome P450 enzymes involved in the in vitro metabolism of ethosuximide by human hepatic microsomal enzymes

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12 December 2020

In vitro and ex vivo evidence for modulation of P-glycoprotein activity by progestins

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12 December 2020

Doxycycline induces expression of P glycoprotein in MCF-7 breast carcinoma cells

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12 December 2020

Mechanism-based inhibition of cytochrome P450 3A4 by therapeutic drugs.

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12 December 2020

Validated assays for human cytochrome P450 activities

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12 December 2020

Inhibition of P-glycoprotein activity in human leukemic cells by mifepristone.

1 reference

12 December 2020

Bioavailability of the Yuzpe and levonorgestrel regimens of emergency contraception: vaginal vs. oral administration

1 reference

12 December 2020

Absorption, disposition, and metabolism of [14C]didanosine in the beagle dog

1 reference

12 December 2020

Liver microsomal biotransformation of nitro-aryl drugs: mechanism for potential oxidative stress induction.

1 reference

12 December 2020

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12 December 2020

Identification of CYP3A4 as the principal enzyme catalyzing mifepristone (RU 486) oxidation in human liver microsomes

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12 December 2020

Amlodipine, but not MDR1 polymorphisms, alters the pharmacokinetics of cyclosporine A in Japanese kidney transplant recipients1

1 reference

12 December 2020

Rapid Identification of P-glycoprotein Substrates and Inhibitors

1 reference

12 December 2020

Identification of cytochrome P450 and arylamine N-acetyltransferase isoforms involved in sulfadiazine metabolism

1 reference

12 December 2020

Bioavailability, pharmacokinetics, and clinical effects of an oral preparation of etoposide

1 reference

12 December 2020

The kinetic disposition of pyrantel citrate and pamoate and their efficacy against pyrantel-resistant Oesophagostomum dentatum in pigs

1 reference

12 December 2020

Penicillamine kinetics in normal subjects.

1 reference

12 December 2020

D-penicillamine metabolism: in vitro studies of S-oxidation mechanisms

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12 December 2020

Isozyme-specific induction of low-dose aspirin on cytochrome P450 in healthy subjects

1 reference

12 December 2020

The Pharmacokinetics of Nitrofurantoin and its Related Bioavailability

1 reference

12 December 2020

Metabolic oxidation of acetaminophen (paracetamol) mediated by cytochrome P-450 mixed-function oxidase and prostaglandin endoperoxide synthetase in rabbit kidney

1 reference

12 December 2020

Effect of high-dose vitamin C on hepatic cytochrome P450 3A4 activity

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12 December 2020

Predicting drug disposition via application of BCS: transport/absorption/ elimination interplay and development of a biopharmaceutics drug disposition classification system

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12 December 2020

Metabolism and requirements of ascorbic acid in man.

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12 December 2020

Effect of 5-fluorocytosine and 5-fluorouracil on human and rat hepatic cytochrome P 450

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12 December 2020

Biperiden effects and plasma levels in volunteers.

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12 December 2020

A theoretical basis for a biopharmaceutic drug classification: the correlation of in vitro drug product dissolution and in vivo bioavailability

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12 December 2020

In vivo evidence that ethosuximide is a substrate for cytochrome P450IIIA

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12 December 2020

Single-dose pharmacokinetics of clomiphene citrate in normal volunteers

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12 December 2020

Inhibition of intestinal P-glycoprotein and effects on etoposide absorption.

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12 December 2020

Molecular enzymology of the reductive bioactivation of hypoxic cell cytotoxins

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12 December 2020

Mechanism of reduction of nitrofurantoin on liver microsomes.

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12 December 2020

Comparative bioavailability of praziquantel tablets

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12 December 2020

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12 December 2020

Progress in predicting human ADME parameters in silico

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12 December 2020

Inhibitory effect of antituberculosis drugs on human cytochrome P450-mediated activities

1 reference

12 December 2020

Pharmacokinetics and absolute bioavailability of salbutamol in healthy adult volunteers

1 reference

12 December 2020

Bioavailability and selected pharmacokinetic parameters of clindamycin hydrochloride after administration of a new 600 mg tablet formulation

1 reference

12 December 2020

Metabolism of orally administered [3H]ergocalciferol and [3H]cholecalciferol by dairy calves

1 reference

12 December 2020

In vitro metabolism of clindamycin in human liver and intestinal microsomes

1 reference

12 December 2020

Pharmacokinetics of a nitrofuran compound, nifurtimox, in healthy volunteers

1 reference

12 December 2020

Mechanisms of transport and structure-permeability relationship of sulfasalazine and its analogs in Caco-2 cell monolayers

1 reference

12 December 2020

The mitochondrial metabolism of 1,2-disubstituted hydrazines, procarbazine and 1,2-dimethylhydrazine

1 reference

12 December 2020

Clinical Pharmacokinetics of Mifepristone

1 reference

12 December 2020

Hepatotoxicity of anti-inflammatory and analgesic drugs: ultrastructural aspects

1 reference

12 December 2020

Biotransformation of nitroglycerin by organic nitrate reductase

1 reference

12 December 2020

Screening for inhibitory effects of antineoplastic agents on CYP3A4 in human liver microsomes.

1 reference

12 December 2020

Breast cancer resistance protein (Bcrp/abcg2) is a major determinant of sulfasalazine absorption and elimination in the mouse

1 reference

12 December 2020

Single-dose pharmacokinetics of macrocrystalline nitrofurantoin formulations.

1 reference

12 December 2020

In silico predictions of drug solubility and permeability: two rate-limiting barriers to oral drug absorption

1 reference

12 December 2020

Pharmacokinetic properties of cefixime

1 reference

12 December 2020

P-glycoprotein: a major determinant of rifampicin-inducible expression of cytochrome P4503A in mice and humans

1 reference

12 December 2020

Urinary 6 beta-hydroxycortisol excretion in rheumatoid arthritis

1 reference

12 December 2020

Antiestrogens and steroid hormones: substrates of the human P-glycoprotein.

1 reference

12 December 2020

Pharmacokinetic and pharmacodynamic studies following the intravenous and oral administration of the antiparkinsonian drug biperiden to normal subjects

1 reference

12 December 2020

Kinetics of thiamin and thiamin phosphate esters in human blood, plasma and urine after 50 mg intravenously or orally

1 reference

12 December 2020

Drug resistance in Trypanosoma cruzi is not associated with amplification or overexpression of P-glycoprotein (PGP) genes

1 reference

12 December 2020

Comparison of the pharmacokinetics of glipizide and glibenclamide in man

1 reference

12 December 2020

Molecular properties of WHO essential drugs and provisional biopharmaceutical classification

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12 December 2020

Limited P-glycoprotein mediated efflux for anti-epileptic drugs

1 reference

12 December 2020

Enhanced antinociception of the model opioid peptide [D-penicillamine] enkephalin by P-glycoprotein modulation

1 reference

12 December 2020

Retinoids in chemoprevention and differentiation therapy

1 reference

12 December 2020

P-glycoprotein confers methotrexate resistance in 3T6 cells with deficient carrier-mediated methotrexate uptake

1 reference

12 December 2020

Clinical Pharmacokinetics of Rifampicin

1 reference

12 December 2020

Pharmacokinetics of propylthiouracil in children and adolescents with Graves' disease in the hyperthyroid and euthyroid states.

1 reference

12 December 2020

Multidrug-resistance protein 5 is a multispecific organic anion transporter able to transport nucleotide analogs

1 reference

12 December 2020

Inhibitory effects of antiparasitic drugs on cytochrome P450 2D6.

1 reference

12 December 2020

The contribution of the enzymes CYP2D6 and CYP2C19 in the demethylation of artemether in healthy subjects

1 reference

12 December 2020

Pharmacokinetic interactions of antimalarial agents

1 reference

12 December 2020

Cytochrome P-450-mediated O-demethylation: a route in the metabolic activation of etoposide (VP-16-213)

1 reference

12 December 2020

Cytochrome c-induced cytosolic nicotinamide adenine dinucleotide oxidation, mitochondrial permeability transition, and apoptosis

1 reference

12 December 2020

The biopharmaceutics classification system (BCS): class III drugs - better candidates for BA/BE waiver?

1 reference

12 December 2020

Rifampin markedly decreases plasma concentrations of praziquantel in healthy volunteers

1 reference

12 December 2020

Modulation of multidrug resistance by artemisinin, artesunate and dihydroartemisinin in K562/adr and GLC4/adr resistant cell lines

1 reference

12 December 2020

The pharmacokinetics of proguanil in human subjects following a single oral dose

1 reference

12 December 2020

Plasma kinetics of procarbazine and azo-procarbazine in humans.

1 reference

12 December 2020

Transcriptional control of intestinal cytochrome P-4503A by 1alpha,25-dihydroxy vitamin D3.

1 reference

12 December 2020

The bioavailability of oral and parenteral chlorimipramine (Anafranil)

1 reference

12 December 2020

P-glycoprotein (P-gp/MDR1)-mediated efflux of sex-steroid hormones and modulation of P-gp expression in vitro

1 reference

12 December 2020

The pharmacokinetics of nicotinamide in humans and rodents

1 reference

12 December 2020

Human pharmacokinetics of proguanil and its metabolites.

1 reference

12 December 2020

Kinetics of oral ethambutol in the normal subject

1 reference

12 December 2020

Interaction between amlodipine and simvastatin in patients with hypercholesterolemia and hypertension

1 reference

12 December 2020

The effect of methimazole on thioamide bioactivation and toxicity

1 reference

12 December 2020

Oxamniquine pharmacokinetics in healthy Kenyan African volunteers.

1 reference

12 December 2020

Separate and interactive regulation of cytochrome P450 3A4 by triiodothyronine, dexamethasone, and growth hormone in cultured hepatocytes

1 reference

12 December 2020

Role of P-glycoprotein in the intestinal absorption and clinical effects of morphine

1 reference

12 December 2020

P-glycoprotein-mediated transport of morphine in brain capillary endothelial cells

1 reference

12 December 2020

Pharmacokinetics of antiepileptic drugs

1 reference

12 December 2020

Plasma kinetics of oral retinol in cancer patients.

1 reference

12 December 2020

Pharmacokinetics of nitroglycerin and its metabolites after administration of sustained-release tablets

1 reference

12 December 2020

Clinical pharmacokinetics and pharmacodynamics of artemisinin and derivatives

1 reference

12 December 2020

P-glycoprotein inhibition by glibenclamide and related compounds

1 reference

12 December 2020

The demethylation of imipramine and clomipramine as apparent from their plasma kinetics

1 reference

12 December 2020

Comparative pharmacokinetics of chlorambucil and prednimustine after oral administration

1 reference

12 December 2020

The disposition of clavulanic acid in man.

1 reference

12 December 2020

Clinical pharmacokinetics and pharmacodynamics and pharmacodynamics of artemether-lumefantrine

1 reference

12 December 2020

Metabolism of carbidopa (1-(-)-alpha-hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid monohydrate), an aromatic amino acid decarboxylase inhibitor, in the rat, rhesus monkey, and man.

1 reference

12 December 2020

Clinical pharmacokinetics of clomipramine

1 reference

12 December 2020

Classification of orally administered drugs on the World Health Organization Model list of Essential Medicines according to the biopharmaceutics classification system

1 reference

12 December 2020

Hormonal properties of norethisterone, 7alpha-methyl-norethisterone and their derivatives

1 reference

12 December 2020

Clinical pharmacokinetics of methyldopa

1 reference

12 December 2020

Clinical pharmacokinetics of stavudine

1 reference

12 December 2020

Immunopharmacological aspects of praziquantel

1 reference

12 December 2020

Toxicokinetics of 2',3'-didehydro-3'-deoxythymidine, stavudine (D4T)

1 reference

12 December 2020

The dynamics of folic acid metabolism in an adult given a small tracer dose of 14C-folic acid.

1 reference

12 December 2020

Comparative review of the pharmacokinetics of vitamin D analogues

1 reference

12 December 2020

Antinociceptive effects of acute and ‘chronic’ injections of tricyclic antidepressant drugs in a new model of mononeuropathy in rats

1 reference

12 December 2020

Metabolism of levonorgestrel, norethindrone, and structurally related contraceptive steroids

1 reference

12 December 2020

Estimating the fraction dose absorbed from suspensions of poorly soluble compounds in humans: a mathematical model.

1 reference

12 December 2020

Induction of cytochrome P450 3A4 and P-glycoprotein by the isoxazolyl-penicillin antibiotic flucloxacillin

1 reference

12 December 2020

A provisional biopharmaceutical classification of the top 200 oral drug products in the United States, Great Britain, Spain, and Japan

1 reference

12 December 2020

Bioavailability of norethindrone in human subjects

1 reference

12 December 2020

Pharmacokinetics of retinyl palmitate and retinol after intramuscular retinyl palmitate administration in severe malaria

1 reference

12 December 2020

The potential inhibitory effect of antiparasitic drugs and natural products on P-glycoprotein mediated efflux

1 reference

12 December 2020

Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s

1 reference

12 December 2020

Pharmacokinetics of artemisinin-type compounds

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12 December 2020

10.1007/S11095-007-9435-9

Identifiers

DOI

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18 September 2017

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