In silico predictions of absorption of MDI substances after dermal or inhalation exposures to support a category based read-across assessment

In silico predictions of absorption of MDI substances after dermal or inhalation exposures to support a category based read-across assessment

Authors: Bartels M, van Osdol W, Le Merdy M, Chappelle A, Kuhl A, West R
Publication: Regul Toxicol Pharmacol
Keywords: admet predictor, gastroplus, inhaled, PBPK modeling, pulmonary, pulmonary playlist, risk assessment, safety assessment, Toxicity, toxicokinetics
Software: GastroPlus®
Division: PBPK

Methylenediphenyl diisocyanate (MDI) substances used polyurethane production can range from their simplest monomeric forms (e.g., 4,4′-MDI) to mixtures of the monomers with various homologues, homopolymer, and prepolymer derivatives.

Preferential solvation study of (Z)-N-benzyl-2-{5-(4-hydroxybenzylidene)-2,4-dioxothiazolidin-3-yl)acetamide (3) in {NMP (1) + Water (2)} co-solvent mixture and GastroPlus software based in vitro simulation

Preferential solvation study of (Z)-N-benzyl-2-{5-(4-hydroxybenzylidene)-2,4-dioxothiazolidin-3-yl)acetamide (3) in {NMP (1) + Water (2)} co-solvent mixture and GastroPlus software based in vitro simulation

Authors: Hussain A, Afzal O, Altamimi ASA, Ali A, Martinez F, Siddique MUM, Acree WE
Publication: Journal Molecular Liquids
Keywords: biopharmaceutics, dissolution kinetics, formulation assessment, gastroplus, mechanistic absorption, pbbm, PBPK modeling
Software: GastroPlus®

(Z)-N-benzyl-2-{5-(4-hydroxybenzylidene)-2,4-dioxothiazolidin-3-yl)acetamide (3) (SE11) is a newly synthesized benzylidine thiazolidinedione to inhibit aldose reductase (AR) to control Diabetes Mellitus (DM) and related complications.

Dissolution Challenges Associated with the Surface pH of Drug Particles: Integration into Mechanistic Oral Absorption Modeling

Dissolution Challenges Associated with the Surface pH of Drug Particles: Integration into Mechanistic Oral Absorption Modeling

Authors: Hens B, Seegobin N, Tsume Y, Clear N, McAllister M, Amidon GE, Amidon GL
Publication: AAPS J
Keywords: biopharmaceutics, dissolution, gastroplus, mechanistic absorption model, microclimate ph, particle size distribution, pbbm, PBPK model, PBPK modeling
Software: GastroPlus®

The present work aimed to differentiate between in vitro dissolution profiles of ibuprofen as input for GastroPlus™ and to see the impact on systemic exposure.

Population Pharmacokinetic Modeling and Exposure-Response Analysis for Aripiprazole Once Monthly in Subjects With Schizophrenia

Population Pharmacokinetic Modeling and Exposure-Response Analysis for Aripiprazole Once Monthly in Subjects With Schizophrenia

Authors: Wang X, Raoufinia A, Bihorel S, Passarell JA, Mallikaarjun S, Phillips L
Publication: Clin Pharmacol Drug Dev
Keywords: Abilify Maintena®; aripiprazole; population pharmacokinetics; schizophrenia
Division: Clinical Pharmacology and Pharmacometrics (CPP)

An intramuscular formulation of aripiprazole monohydrate dosed once monthly (AOM) was developed to address nonadherence with

Preferential Solvation Study of the Synthesized Aldose Reductase Inhibitor (SE415) in the {PEG 400 (1) + Water (2)} Cosolvent Mixture and GastroPlus-Based Prediction

Preferential Solvation Study of the Synthesized Aldose Reductase Inhibitor (SE415) in the {PEG 400 (1) + Water (2)} Cosolvent Mixture and GastroPlus-Based Prediction

Authors: Hussain A, Altamimi MA, Afzal O, Altamimi ASA, Ali A, Ali A, Martinez F, Siddique MUM, Acree WE, Jouyban A
Publication: ACS Omega
Keywords: biopharmaceutics, gastroplus, mechanistic absorption model, pbbm, PBPK model, PBPK modeling, physiologically based pharmacokinetics
Software: GastroPlus®

(Z)-N-Benzyl-2-{2,4-dioxo-5-(4-prop-2-yl-1-yloxyl)benzylidene)thiazolin-3-yl)}acetamide (SE415) is a novel aldose reductase inhibitor used in the management of diabetes mellitus (DM) and associated complications.

In Vitro and In Silico Study of Analogs of Plant Product Plastoquinone to Be Effective in Colorectal Cancer Treatment

In Vitro and In Silico Study of Analogs of Plant Product Plastoquinone to Be Effective in Colorectal Cancer Treatment

Authors: Ciftci HI, Sever B, Ocak F, Bayrak N, Yıldız M, Yıldırım H, DeMirci H, Tateishi H, Otsuka M, Fujita M, Tuyun AF
Publication: Molecules
Keywords: colorectal cancer, cytotoxicity; apoptosis, DNA-cleavage, molecular docking, pharmacokinetic properties, plastoquinones
Software: ADMET Predictor®
Therapeutic Areas: Oncology

Plants have paved the way for the attainment of molecules with a wide-range of biological activities.

Transition from Syringe to Autoinjector Based on Bridging Pharmacokinetics and Pharmacodynamics of the P2Y12 Receptor Antagonist Selatogrel in Healthy Subjects

Transition from Syringe to Autoinjector Based on Bridging Pharmacokinetics and Pharmacodynamics of the P2Y12 Receptor Antagonist Selatogrel in Healthy Subjects

Authors: Zenklusen I, Hsin CH, Schilling U, Kankam M, Krause A, Ufer M, Dingemanse J
Publication: Clinical Pharmacokinetics
Keywords: noncompartmental analysis, pharmacodynamic, pharmacodynamics, pharmacokinetics (PK), PK/PD modeling

Selatogrel is a potent, reversible, and selective antagonist of the platelet P2Y12 receptor currently developed for the treatment of acute myocardial infarction (AMI).

Level A IVIVC for immediate release tablets confirms in vivo predictive dissolution testing for ibuprofen

Level A IVIVC for immediate release tablets confirms in vivo predictive dissolution testing for ibuprofen

Authors: Cámara-Martinez I, Blechar JA, Ruiz-Picazo A, Garcia-Arieta A, Calandria C, Merino V, Langguth P, González-Álvarez M, Bermejo M, Al-Gousous J, González-Álvarez I
Publication: Int J Pharm
Keywords: bioequivalence (BE), buffer strength, in vitro-in vivo correlation, in vivo predictive dissolution, microenvironmental pH

A bioequivalence study comparing two fixed dose combination tablets containing 200 mg ibuprofen and 30 mg pseudoephedrine hydrochloride showed bioequivalence for pseudoephedrine AUC and Cmax, but the reference product showed higher Cmax than the test product in fasted conditions.

Identification of phenylcarbamoylazinane-1,3,4-oxadiazole amides as lipoxygenase inhibitors with expression analysis and in silico studies

Identification of phenylcarbamoylazinane-1,3,4-oxadiazole amides as lipoxygenase inhibitors with expression analysis and in silico studies

Authors: Bashir B, Shahid W, Ashraf M, Saleem M, Rehman AU, Muzaffar S, Imran M, Amjad H, Bhattarai K
Publication: Bioorg Chem
Keywords: ADME studies, Azinane-oxadiazoles, Expression analysis, in silico studies, Lipoxygenase inhibition, MTT assay, Synthesis
Software: ADMET Predictor®
Therapeutic Areas: Inflammation

In search for new anti-inflammatory agents that inhibit the enzymes of arachidonic acid pathway as the drug targets, the present article describes the screening...

A novel chemical inhibitor suppresses breast cancer cell growth and metastasis through inhibiting HPIP oncoprotein

A novel chemical inhibitor suppresses breast cancer cell growth and metastasis through inhibiting HPIP oncoprotein

Authors: Li P, Cao S, Huang Y, Zhang Y, Liu J, Cai X, Zhou L, Jiang Z, Ding L, Zheng Z, Li S, Ye Q
Publication: Cell Death Disc
Keywords: anticancer effects, apoptosis, Cannabinoid receptors, cell cycle, DNA replication, pre-B-cell leukemia transcription factor
Software: ADMET Predictor®
Therapeutic Areas: Oncology

Increasing evidence suggests the pivotal role of hematopoietic pre-B-cell leukemia transcription factor (PBX)-interacting protein (HPIP/PBXIP1) in cancer development and progression...

Best practices in current models mimicking drug permeability in the gastrointestinal tract – an UNGAP review

Best practices in current models mimicking drug permeability in the gastrointestinal tract – an UNGAP review

Authors: O’Shea JP, Augustijns P, Brandl M, Brayden DJ, Brouwers J, Griffin BT, Holm R, Jacobsen AC, Lennernäs H, Vinarov Z, O’Driscoll CM
Publication: Eur J Pharm Sci
Keywords: admet predictor, biopharmaceutics, effective permeability, gastroplus, intestinal absorption, machine learning, mechanistic absorption model, PBPK modeling, Peff
Software: GastroPlus®

The absorption of orally administered drug products is a complex, dynamic process, dependant on a range of biopharmaceutical properties; notably the aqueous solubility of a molecule, stability within the gastrointestinal tract (GIT) and permeability.

In Vitro and In Vivo Bioequivalence Study of 3D-Printed Instant-Dissolving Levetiracetam Tablets and Subsequent Personalized Dosing for Chinese Children Based on Physiological Pharmacokinetic Modeling

In Vitro and In Vivo Bioequivalence Study of 3D-Printed Instant-Dissolving Levetiracetam Tablets and Subsequent Personalized Dosing for Chinese Children Based on Physiological Pharmacokinetic Modeling

Authors: Li X, Liang E, Hong X, Han X, Li C, Wang Y, Wang Z, Zheng A
Publication: Pharmaceutics
Keywords: biopharmaceutics, gastroplus, mechanistic absorption model, pbbm, PBPK model, PBPK modeling, pediatrics, physiologically based pharmacokinetics, special populations, vbe, virtual bioequivalence
Software: GastroPlus®

Recently, the development of Binder Jet 3D printing technology has promoted the research and application of personalized formulations, which are especially useful for children’s medications.