Investigating bile acid-mediated cholestatic drug-induced liver injury using a mechanistic model of multidrug resistance protein 3 (MDR3) inhibition

Investigating bile acid-mediated cholestatic drug-induced liver injury using a mechanistic model of multidrug resistance protein 3 (MDR3) inhibition

Authors: Beaudoin J, Yang K, Adiwidjaja J, Taneja G, Watkins PB, Siler SQ, Howell BA, Woodhead JL
Publication: Frontiers in Pharmacology
Keywords: bile acids, cholangiocyte toxicity, cholehepatic, MDR3, MDR3 inhibition
Software: DILIsym®
Division: PBPK

Inhibition of the canalicular phospholipid floppase multidrug resistance protein 3 (MDR3) has been implicated in cholestatic drug-induced liver injury (DILI), which is clinically...

N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents—In Silico and In Vitro Evaluation

N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents—In Silico and In Vitro Evaluation

Authors: Pertrou A, Geronikaki A, Kartsev V, Kousaxidis A, Papadimitriou-Tsantarliotou A, Kostic M, Ivanov M, Nicolaou I, IS Vizirianakis
Publication: Pharmaceuticals
Keywords: ADMET, antibacterial activity, antifungal activity, antimicrobial, cytotoxicity, Indole, molecular docking, rhodamine
Software: ADMET Predictor®
Therapeutic Areas: Anti-effective

Herein, we report the experimental evaluation of the antimicrobial activity of seventeen new (Z)-methyl 3-(4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylate derivatives.

Therapeutic target mapping from the genome of Kingella negevensis and biophysical inhibition assessment through PNP synthase binding with traditional medicinal compounds

Therapeutic target mapping from the genome of Kingella negevensis and biophysical inhibition assessment through PNP synthase binding with traditional medicinal compounds

Authors: Basharat Z, Murtaza Z, Siddiqa A, Alnasser SM, Meshal A
Publication: Mol Divers
Keywords: biopharmaceutics, disease states, gastroplus, hepatic impairment, pbbm, PBPK modeling, physiologically based pharmacokinetics, population simulations
Software: GastroPlus®

Kingella negevensis belongs to the Neisseriaceae family. It is implied that it has significant virulence potential due to RTX toxin production, which can cause hemolysis.

Cationic nanoliposomes of carvedilol for intranasal application: In vitro, in vivo and in silico studies

Cationic nanoliposomes of carvedilol for intranasal application: In vitro, in vivo and in silico studies

Authors: Kar S, Singh SK
Publication: J Drug Deliv Sci Technol
Keywords: gastroplus, inhaled drug product, nasal delivery, pbbm, PBPK modeling, pcat, physiologically based pharmacokinetics, pulmonary absorption
Software: GastroPlus®

Carvedilol (CVD) is a non-selective β and α adrenoreceptor blocker, useful in treating hypertension, angina pectoris, congestive heart failure (CHF), and coronary artery...

Safety, Tolerability, and Pharmacokinetics of Nebulized Hydroxychloroquine: A Pilot Study in Healthy Volunteers

Safety, Tolerability, and Pharmacokinetics of Nebulized Hydroxychloroquine: A Pilot Study in Healthy Volunteers

Authors: Hawari F, Dodin Y, Tayyem R, Najjar S, Kakish H, Fara MA, Zou’bi AA, Idkaidek N
Publication: J Aerosol Med Pulm Drug Deliv
Keywords: gastroplus, inhaled drug product, pbbm, PBPK modeling, pcat, physiologically based pharmacokinetics, pulmonary absorption
Software: GastroPlus®

Background: Early in the coronavirus disease 2019 (COVID-19) pandemic, hydroxychloroquine (HCQ) drew substantial attention as a potential COVID-19 treatment...

Physiologically Based Biopharmaceutics Modeling of Food Effect for Basmisanil: A Retrospective Case Study of the Utility for Formulation Bridging

Physiologically Based Biopharmaceutics Modeling of Food Effect for Basmisanil: A Retrospective Case Study of the Utility for Formulation Bridging

Authors: Belubbi T, Bassani D, Stillhart C, Parrott N
Publication: Pharmaceutics
Keywords: ACAT, bioequivalence, biopharmaceutics, fed state, gastroplus, mechanistic absorption, pbbm, PBPK modeling, physiologically based pharmacokinetics, vbe
Software: GastroPlus®

Basmisanil, is a lipophilic drug substance, exhibiting poor solubility and good permeability (BCS class 2). A validated physiologically based biopharmaceutics model (PBBM)...