BCS Class IV Oral Drugs and Absorption Windows: Regional-Dependent Intestinal Permeability of Furosemide

BCS Class IV Oral Drugs and Absorption Windows: Regional-Dependent Intestinal Permeability of Furosemide

Authors: Markovic M, Zur M, Ragatsky I, Cvijić S, Dahan A
Publication: Pharmaceutics
Keywords: biopharmaceutical classification system, gastrointestinal tract, gastroplus, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling
Software: GastroPlus®

Biopharmaceutical classification system (BCS) class IV drugs (low-solubility low-permeability) are generally poor drug candidates, yet...

5-Fluorouracil Loaded Biogenic and Albumin Capped Gold Nanoparticles Using Bacterial Enzyme—In Vitro-In Silico Gastroplus® Simulation and Prediction

5-Fluorouracil Loaded Biogenic and Albumin Capped Gold Nanoparticles Using Bacterial Enzyme—In Vitro-In Silico Gastroplus® Simulation and Prediction

Authors: Mahdi WA, Hussain A, Ramzan M
Publication: Processes
Keywords: gastroplus, machine learning, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling
Software: GastroPlus®

The study investigated in situ biosynthesis of albumin capped 5-fluorouracil (5-FU) loaded gold nanoparticles (NPs) using bacterial extract for enhanced...

Ocular Physiologically Based Pharmacokinetic Modeling for Ointment Formulations

Ocular Physiologically Based Pharmacokinetic Modeling for Ointment Formulations

Authors: Le Merdy M, Spires J, Lukacova V, Tan ML, Babiskin A, Xu X, Zhao L, Bolger MB
Publication: Pharm Res
Keywords: ocular PBPK, opthalmic ointment, PBPK, product development
Software: ADMET Predictor®, GastroPlus®
Division: PBPK

The purpose of this study is to show how the Ocular Compartmental Absorption & Transit (OCAT™) model in GastroPlus® can be used to characterize ocular...

Quantitative systems toxicology (DILIsym) modeling of the acetaminophen (paracetamol) mode of action (MOA) pathway for hepatotoxicity supports that acetaminophen is not a carcinogenic hazard in humans

Quantitative systems toxicology (DILIsym) modeling of the acetaminophen (paracetamol) mode of action (MOA) pathway for hepatotoxicity supports that acetaminophen is not a carcinogenic hazard in humans

Authors: Howell BA, Yang K, Gebremichael Y, Eichenbaum G
Conference: AAPS
Keywords: acetaminophen, carcinogenicity, DILIsym, hepatotoxicity, liver injury, OEHHA, Office of Environment Health Hazard Assessment, QST modeling
Software: DILIsym®
Division: Quantitative Systems Pharmacology (QSP)

Acetaminophen has a long history of safe use at therapeutic doses, but can cause liver injury at very high doses

Public Workshop Summary Report on Fiscal Year 2021 Generic Drug Regulatory Science Initiatives: Data Analysis and Model‐Based Bioequivalence

Public Workshop Summary Report on Fiscal Year 2021 Generic Drug Regulatory Science Initiatives: Data Analysis and Model‐Based Bioequivalence

Authors: Lee J, Gong Y, Bhoopathy S, DiLiberti CE, Hooker AC, Rostami‐Hodjegan A, Schmidt S, Suarez-Sharp S, Lukacova V, Fang L, Zhao L
Publication: Clin Pharmacol Ther
Keywords: data analysis, FDA, generic drugs, in vitro, model‐based bioequivalence, regulatory, U.S. Food and Drug Administration (FDA)
Software: GastroPlus®
Division: PBPK

On May 4, 2020, the US Food and Drug Administration (FDA) hosted an online public workshop titled “FY 2020 Generic Drug Regulatory Science...

In vitro investigation of metabolic fate of α-mangostin and gartanin via skin permeation by LC-MS/MS and in silico evaluation of the metabolites by ADMET predictor™

In vitro investigation of metabolic fate of α-mangostin and gartanin via skin permeation by LC-MS/MS and in silico evaluation of the metabolites by ADMET predictor™

Authors: Rukthong P, Sereesongsang N, Kulsirirat T, Boonnak N, Sathirakul K
Publication: BMC Compl Med Therap
Keywords: admet predictor, garcinia mangostana L., Gartaninm, skin metabolism, Skin permeation, α-Mangostin
Software: ADMET Predictor®

Mangosteen, Garciniam angostana L., is a juicy fruit commonly found in Thailand.

Novel substituted N-benzyl(oxotriazinoindole) inhibitors of aldose reductase exploiting ALR2 unoccupied interactive pocket

Novel substituted N-benzyl(oxotriazinoindole) inhibitors of aldose reductase exploiting ALR2 unoccupied interactive pocket

Authors: Hlavac M, Kovacikova L, Prnova MS, Addova G, Hanquet G, Stefek M, Bohac A
Publication: Bioorg Med Chem
Keywords: Aldose reductase (ALR2), Desolvation penalty, Interactive pocket, N-benzyl(oxotriazinoindole) ALR2 inhibitors
Software: ADMET Predictor®

Recently we have developed novel oxotriazinoindole inhibitors (OTIs) of aldose reductase (ALR2), characterized by high efficacy and selectivity.

Managing the challenge of drug-induced liver injury: a roadmap for the development and deployment of preclinical predictive models

Managing the challenge of drug-induced liver injury: a roadmap for the development and deployment of preclinical predictive models

Authors: Weaver RJ, Blomme EA, Chadwick AE, Copple IM, Gerets HHJ, Goldring CE, Guillouzo A, Hewitt PG, Ingelman-Sundberg M, Jensen K, Juhila S, Klingmüller U, Labbe G, Liguori MJ, Lovatt CA, Morgan P, Naisbitt DJ, Pieters RHH, Snoeys J, van de Water B, Williams DP, Park BK
Publication: Nat Rev Drug Discov
Keywords: adverse effects, drug discovery, preclinical research
Software: ADMET Predictor®

Drug-induced liver injury (DILI) is a patient-specific, temporal, multifactorial pathophysiological process that cannot yet be recapitulated in a single in vitro model.