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.

Solubility and Stability Enhanced Oral Formulations for the Anti-Infective Corallopyronin A

Solubility and Stability Enhanced Oral Formulations for the Anti-Infective Corallopyronin A

Authors: Krome AK, Becker T, Kehraus S, Schiefer A, Steinebach C, Aden T, Frohberger SJ, Lopez Marmol A, Kapote D, Jansen R, Chaverra-Munoz L, Hubner MP, Pfarr K, Hesterkamp T, Stadler M, Gutschow M, Konig GM, Hoerauf A, Wagner KG
Publication: Pharmaceutics
Keywords: enabled formulations, gastroplus, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics, pkplus
Software: GastroPlus®

Novel-antibiotics are urgently needed to combat an increase in morbidity and mortality due to resistant bacteria.

Relevance of Physiologically Based Biopharmaceutical Modeling (PBBM) in the Approval of Generic Products

Relevance of Physiologically Based Biopharmaceutical Modeling (PBBM) in the Approval of Generic Products

Authors: Suarez-Sharp S
Keywords: FDA Office of Generic Drugs, generic drug products, generic drugs, PBBM modeling, PBPK, physiological based biopharmaceutics models (PBBM)
Software: GastroPlus®
Division: PBPK

The Webinar "Relevance of Physiologically Based Biopharmaceutical Modeling (PBBM) in the Approval of Generic Products", which will be presented in Spanish