Quantitative Systems Toxicology Identifies the Mechanism and Data Gaps for Evaluating the Hepatotoxicity of Compound V

Quantitative Systems Toxicology Identifies the Mechanism and Data Gaps for Evaluating the Hepatotoxicity of Compound V

Authors: Lakhani VV, Generaux GT, Siler SQ, Howell B, Woodhead JL
Conference: SLP MIDD+
Keywords: Compound V, FIH/Phase I, hepatocytes, hepatotoxicity, in silico, in vitro, liver, QST, SLP2021MIDD
Software: GastroPlus®
Division: Quantitative Systems Pharmacology (QSP)

Compound V is a small molecule with potential therapeutic benefits in patients with obesity.

Deposition of pentamidine analogues in the human body – spectroscopic and computational approaches

Deposition of pentamidine analogues in the human body – spectroscopic and computational approaches

Authors: Zołeka T, Dömötör O, Rezler M, Enyedy EA, Maciejewska D
Publication: Eur J Pharm Sci
Keywords: Computational modelling Therapeutic area: Anti-infectives, drug likeness, HSA and DNA interaction, Pentamidine analogues, Proton dissociation constants, Spectrofluorometry
Software: ADMET Predictor®

Bis-benzamidines are a diverse group of compounds with high potential in pharmacotherapy, and among them, pentamidine is a drug of great...

Synthesis, Biological Activity and In Silico Pharmacokinetic Prediction of a New 2-Thioxo-Imidazoldidin-4-One of Primaquine

Synthesis, Biological Activity and In Silico Pharmacokinetic Prediction of a New 2-Thioxo-Imidazoldidin-4-One of Primaquine

Authors: Pereira M, Caljon G, Gouveia MJ, Maes L, Vale N
Publication: Pharmaceuticals
Keywords: 2-thioxo-imidazolidin-4-one, anti-infectives, antitrypanosomal activity, gastroplus, in silico PK Therapeutic area, PBPK modeling, physiologically based pharmacokinetic modeling, primaquine
Software: ADMET Predictor®, GastroPlus®

The discovery of novel antiparasitic drugs for neglected tropical diseases (NTDs) constitutes a global urgency and requires a range of innovative strategies...

Development of transdermal based hydrogel formulations of vinorelbine with an evaluation of their in vitro profiles and activity against melanoma cells and in silico prediction of drug absorption

Development of transdermal based hydrogel formulations of vinorelbine with an evaluation of their in vitro profiles and activity against melanoma cells and in silico prediction of drug absorption

Authors: Fonseca AM, Araújo CCB, Henriques da Silva J, Honorio TS, Nasciutti LE, Cabral LM, Almada do Carmo F, Pereira de Sousa V
Publication: J Drug Deliv Sci Technol
Keywords: dermal absorption, gastroplus, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, skin penetration, tcat
Software: ADMET Predictor®, GastroPlus®

The primary course of melanoma treatment involves surgery in association with chemotherapy. One potential agent is vinorelbine (VNR).

Sanhuang Jiangtang tablet protects type 2 diabetes osteoporosis via AKT-GSK3β-NFATc1 signaling pathway by integrating bioinformatics analysis and experimental validation

Sanhuang Jiangtang tablet protects type 2 diabetes osteoporosis via AKT-GSK3β-NFATc1 signaling pathway by integrating bioinformatics analysis and experimental validation

Authors: He Q, Yang J, Zhang G, Chen D, Zhang M, Pan Z, Wang Z, Su L, Zeng J, Wang B, Wang H, Chen P
Publication: J Ethnopharmacol
Keywords: AKT-GSK3β-NFATc1 signaling pathway, bioinformatics, diabetes, osteoporosis, Sanhuang jiangtang tablet, Type 2 diabetes
Software: ADMET Predictor®

Sanhuang Jiangtang tablet (SHJTT), has been widely used to treat type 2 diabetes mellitus (T2DM). However, the potential and mechanism of SHJTT in...

In Vitro Sensitivity Analysis of the Gastrointestinal Dissolution Profile of Weakly Basic Drugs in the Stomach-to-Intestine Fluid Changing System: Explanation for Variable Plasma Exposure after Oral Administration

In Vitro Sensitivity Analysis of the Gastrointestinal Dissolution Profile of Weakly Basic Drugs in the Stomach-to-Intestine Fluid Changing System: Explanation for Variable Plasma Exposure after Oral Administration

Authors: Takagi T, Masada T, Minami K, Kataoka M, Izutsu K, Matsui K, Yamashita S
Publication: Mol Pharm
Keywords: bioequivalence, biorelevant dissolution, intrasubject variability, supersaturation, weakly basic drugs
Software: ADMET Predictor®

An in vitro methodology for simulating the change in the pH and composition of gastrointestinal fluid associated with the transition of orally administered drugs from...

Population Pharmacokinetic Analysis for Plasma and Epithelial Lining Fluid Ceftolozane/Tazobactam Concentrations in Patients With Ventilated Nosocomial Pneumonia

Population Pharmacokinetic Analysis for Plasma and Epithelial Lining Fluid Ceftolozane/Tazobactam Concentrations in Patients With Ventilated Nosocomial Pneumonia

Authors: Zhang Z, Patel YT, Fiedler-Kelly J, Feng HP, Bruno CJ, Gao W
Publication: J Clin Pharmacol
Keywords: ceftolozane, end‐stage renal disease, nosocomial pneumonia, pharmacokinetics/pharmacodynamics, population pharmacokinetics, tazobactam
Division: Clinical Pharmacology and Pharmacometrics (CPP)

Ceftolozane/tazobactam (C/T) is a combination of a novel cephalosporin with tazobactam, recently approved for the treatment of hospital-acquired and

Understanding Carrier Performance in Low-Dose Dry Powder Inhalation: An In Vitro–In Silico Approach

Understanding Carrier Performance in Low-Dose Dry Powder Inhalation: An In Vitro–In Silico Approach

Authors: Pinto JT, Cachola I, Pinto JF, Paudel A
Publication: Pharmaceutics
Keywords: gastroplus, inhaled product, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, pulmonary model, pulmonary playlist
Software: GastroPlus®

The use of physiologically based pharmacokinetic (PBPK) models to support drug product development has become increasingly popular.

Development of an In Silico Prediction Model for P-glycoprotein Efflux Potential in Brain Capillary Endothelial Cells toward the Prediction of Brain Penetration

Development of an In Silico Prediction Model for P-glycoprotein Efflux Potential in Brain Capillary Endothelial Cells toward the Prediction of Brain Penetration

Authors: Watanabe R, Esaki T, Ohashi R, Kuroda M, Kawashima H, Komura H, Natsume-Kitatani Y, Mizuguchi K
Publication: J Med Chem
Keywords: admet predictor, Brain Capillary Endothelial Cells, Brain Penetration, in silico, P-glycoprotein
Software: ADMET Predictor®

Developing in silico models to predict the brain penetration of drugs remains a challenge owing to the intricate involvement of multiple transport systems in the blood brain barrier, and the necessity to consider a...

A PK/PD model of saxagliptin: to simulate its pharmacokinetics and pharmacodynamics in healthy adults and patients with impaired hepatic function

A PK/PD model of saxagliptin: to simulate its pharmacokinetics and pharmacodynamics in healthy adults and patients with impaired hepatic function

Authors: Shi L, Miao F, Wang G, Sun W, Liu Y
Publication: Journal of Chinese Pharmaceutical Sciences
Keywords: biopharmaceutics, clinical trials, disease states, gastroplus, hepatic impairment, pbbm, PBPK modeling, pbpk/pd, physiologically based pharmacokinetic modeling, population simulations
Software: GastroPlus®

In this study, we aimed to develop and evaluate a whole-body physiologically based pharmacokinetic (WB-PBPK)/pharmacodynamic (PD) model for...