Vesicular elastic liposomes for transdermal delivery of rifampicin: In-vitro, in-vivo and in silico GastroPlus™ prediction studies

Vesicular elastic liposomes for transdermal delivery of rifampicin: In-vitro, in-vivo and in silico GastroPlus™ prediction studies

Authors: Hussain A, Altamimi MA, Alshehri S, Imam SS, Singh SK
Publication: Eur J Pharm Sci
Keywords: dermal absorption, gastroplus, pbbm, pbpk modeling and simulation, physiologically based biopharmaceutics modeling
Software: GastroPlus®

This study investigated enhanced bioavailability and sustained delivery of transdermally delivered rifampicin (RIF) in elastic liposomes...

Cerebrospinal fluid penetration of targeted therapeutics in pediatric brain tumor patients

Cerebrospinal fluid penetration of targeted therapeutics in pediatric brain tumor patients

Authors: Guntner AS, Peyrl A, Mayr L, Englinger B, Berger W, Slavc I, Buchberger W, Gojo J
Publication: Acta Neuropathologica Communications
Keywords: blood–brain barrier, Cerebrospinal fluid, High performances liquid chromatography mass spectrometry, Ommaya reservoir, pharmacokinetics, Precision medicine, Targeted therapy
Software: ADMET Predictor®

Treatment with small-molecule inhibitors, guided by precision medicine has improved patient outcomes in multiple cancer types.

The GastroPlus® Additional Dosage Routes Seminar Series Pulmonary with John DiBella and Jim Mullin

The GastroPlus® Additional Dosage Routes Seminar Series Pulmonary with John DiBella and Jim Mullin

Authors: DiBella J
Keywords: additional dosage routes, gastroplus, GastroPlus Additional Dosage Routes Seminar Series, Oral Cavity Compartmental Absorption & Transit (OCCAT™), Pulmonary Compartmental Absorption & Transit (PCAT™), pulmonary playlist
Software: GastroPlus®
Division: PBPK

The Pulmonary Compartmental Absorption & Transit (PCAT™) model represents the lung/nose as a collection of the following...

Intrinsic Dissolution Rate Profiling of Poorly Water-Soluble Compounds in Biorelevant Dissolution Media

Intrinsic Dissolution Rate Profiling of Poorly Water-Soluble Compounds in Biorelevant Dissolution Media

Authors: Teleki A, Nylander O, Bergstrom CAS
Publication: Pharmaceutics
Keywords: biorelevant dissolution media, controlled suspension, FaSSIF, FeSSIF, intrinsic dissolution rate, physicochemical properties, poorly water-soluble drugs
Software: ADMET Predictor®

The intrinsic dissolution rate (IDR) of active pharmaceutical ingredients (API) is a key property that aids in early drug development,

Discovery of 2-aryl and 2-pyridinylbenzothiazoles endowed with antimicrobial and aryl hydrocarbon receptor agonistic activities

Discovery of 2-aryl and 2-pyridinylbenzothiazoles endowed with antimicrobial and aryl hydrocarbon receptor agonistic activities

Authors: Goya-Jorge E, Abdmouleh F, Carpio LE, Giner RM, Veitia MSI
Publication: Eur J Pharm Sci
Keywords: Agonism, Ah receptor, antibacterial, antibiofilm, antifungal, benzothiazole
Software: ADMET Predictor®

Benzothiazole is a privileged scaffold in medicinal chemistry present in diverse bioactive compounds with multiple pharmacological applications such as,,,

Physiologically Based Absorption Modelling to Explore the Impact of Food and Gastric pH Changes on the Pharmacokinetics of Entrectinib

Physiologically Based Absorption Modelling to Explore the Impact of Food and Gastric pH Changes on the Pharmacokinetics of Entrectinib

Authors: Parrott N, Stillhart C, Lindenberg M, Wagner B, Kowalski K, Guerini E, Djebli N, Meneses-Lorente G
Publication: AAPS J
Keywords: dddplus, dissolution, drug–drug interaction, gastroplus, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, proton pump inhibitor
Software: GastroPlus®

Entrectinib is a potent and selective tyrosine kinase inhibitor (TKI) of TRKA/B/C, ROS1, and ALK with both systemic...

Molecular docking and dynamics simulations studies of OmpATb identifies four potential novel natural product-derived anti-Mycobacterium tuberculosis compounds

Molecular docking and dynamics simulations studies of OmpATb identifies four potential novel natural product-derived anti-Mycobacterium tuberculosis compounds

Authors: Kwofie SK, Adobor C, Quansah E, Bentil J, Ampadu M, Miller III WA, Wilson MD
Publication: Computers in Biology and Medicine
Keywords: admet predictor, anti-mycobacterial, biomolecules, molecular docking, OmpATb
Software: ADMET Predictor®

The outer membrane protein A (OmpATb) of Mycobacterium tuberculosis is a virulence factor that neutralizes the host pH to impede...

Advanced analytical techniques based on high-resolution mass spectrometry for the detection of micropollutants and their toxicity in aquatic environments

Advanced analytical techniques based on high-resolution mass spectrometry for the detection of micropollutants and their toxicity in aquatic environments

Authors: Muter O, Bartkevics V
Publication: Curr Opin Environ Sci Health
Keywords: admet predictor, chronic ecotoxicity testing, high resolution mass spectrometry, micropollution, suspect screening, whole-effluent ecotoxicity
Software: ADMET Predictor®

An abundance of micropollutants (MPs) in treated wastewater (WW) and occasionally even in drinking water represents a global threat from...

In Vitro Dissolution Profiles Similarity Assessment in Support of Drug Product Quality: What, How, When—Workshop Summary Report

In Vitro Dissolution Profiles Similarity Assessment in Support of Drug Product Quality: What, How, When—Workshop Summary Report

Authors: Suarez-Sharp S, Abend A, Hoffelder T, Leblond D, Delvadia PR, Kovacs E, Diaz DA
Publication: AAPS J
Keywords: decision tree, dissnolutio, dissolution, in vitro, safe space, similarity testing
Software: GastroPlus®
Division: PBPK

The pharmaceutical industry and regulatory agencies rely on dissolution similarity testing to make critical product performance decisions as part of drug product life cycle management.

Biopharmaceutic In Vitro In Vivo Extrapolation (IVIV_E) Informed Physiologically-Based Pharmacokinetic Model of Ritonavir Norvir Tablet Absorption in Humans Under Fasted and Fed State Conditions

Biopharmaceutic In Vitro In Vivo Extrapolation (IVIV_E) Informed Physiologically-Based Pharmacokinetic Model of Ritonavir Norvir Tablet Absorption in Humans Under Fasted and Fed State Conditions

Authors: Arora S, Pansari A, Kilford P, Jamei M, Gardner I, Turner DB
Publication: Mol Pharm
Keywords: biopharmaceutics, PBPK modeling, plasma profile
Division: PBPK

Ritonavir is a well-known CYP3A4 and CYP2D6 enzyme inhibitor, frequently used to assess the drug–drug interaction (DDI) liability of susceptible drugs.

Design, synthesis, in vitro and in silico studies of novel 4-oxoquinoline ribonucleoside derivatives as HIV-1 reverse transcriptase inhibitors

Design, synthesis, in vitro and in silico studies of novel 4-oxoquinoline ribonucleoside derivatives as HIV-1 reverse transcriptase inhibitors

Authors: Forezi LDSM, Ribeiro MMJ, Marttorelli A, Abrantes JL, Rodrigues CR, Castro HC, Souza TML, Boechat FCS, Souza AMT
Publication: Eur J Med Chem
Keywords: 4-Oxoquinoline, antiviral, HIV-1, molecular docking, ribonucleoside
Software: ADMET Predictor®

Human immunodeficiency virus type 1 (HIV-1) is a public health problem that affects over 38 million people worldwide.