Impact of differential particle size of fenofibrate nanosuspensions on biopharmaceutical performance using physiologically based absorption modeling in rats

Impact of differential particle size of fenofibrate nanosuspensions on biopharmaceutical performance using physiologically based absorption modeling in rats

Authors: Jain D, Thakur PS, Thakore SD, Samal SK, Bansal AK
Publication: J Drug Deliv Sci Technol
Keywords: dissolution specifications, gastroplus, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, safe space
Software: GastroPlus®

Particle size and its distribution governs oral biopharmaceutical performance of poorly water-soluble active pharmaceutical ingredients (APIs).

Pharmacokinetics of Intravenous, Intramuscular, Oral, and Transdermal Administration of Flunixin Meglumine in Pre-wean Piglets

Pharmacokinetics of Intravenous, Intramuscular, Oral, and Transdermal Administration of Flunixin Meglumine in Pre-wean Piglets

Authors: Kittrell H, Mochel JP, Brown J, Forseth AM, Hayman K, Rajewski S, Coetzee J, Schneider B, Skoland K, Karriker L
Publication: Front Vet Sci
Keywords: chromatography, Flunixin meglumine, intramuscular, intravenous, pharmacokinetic, transdermal
Software: PKanalix®
Division: Lixoft

Castration and tail-docking of pre-wean piglets are common procedures that are known to induce pain and would benefit from pain mitigation.

Metabolism of N-ethylhexedrone and buphedrone: An in vivo study in mice using HPLC-MS/MS

Metabolism of N-ethylhexedrone and buphedrone: An in vivo study in mice using HPLC-MS/MS

Authors: Carrola J, Duarte N, Florindo P, Henriques S, da Silva G, Bijlsma L, Moreira R, do Vale Correia C, de Jesus Perry M, Lopes A, de Mello-Sampayo C, do Rosário Bronze M
Publication: J of Chromatography
Keywords: Buphedrone, Dicarboxylic acid conjugate, metabolism, N-ethylhexedrone, New psychoactive substances, Synthetic cathinones
Software: ADMET Predictor®

N-ethylhexedrone (NEH) and buphedrone (BUPH) are synthetic drugs structurally related to natural cathinone.

Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones

Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones

Authors: Clark RD, Morris D, Chinigo G, Lawless M, Prudhomme J, Le Roch KG, Lafuente MJ, Ferrer S, Gamo, FJ, Gadwood R, Woltosz WS
Publication: J Comput Aided Mol Des
Keywords: ADME, antimalarial, Dihydroorotate dehydrogenase, drug design, PBPK, QSAR
Software: ADMET Predictor®
Division: Simulations Plus

There is a pressing need to improve the efficiency of drug development, and nowhere is that need more clear than in the case of neglected diseases...

Profiling the antidepressant properties of phenyl piperidine derivatives as inhibitors of serotonin transporter (SERT) via cheminformatics modeling, molecular docking and ADMET predictions

Profiling the antidepressant properties of phenyl piperidine derivatives as inhibitors of serotonin transporter (SERT) via cheminformatics modeling, molecular docking and ADMET predictions

Authors: Olasupo SB, Uzairu A, Shallangwa GA, Uba S
Publication: Sci African
Keywords: cheminformatics, descriptors, docking, QSAR, serotonin
Software: ADMET Predictor®

The inhibition of serotonin transporter (SERT) has been considered to be a good target for the treatment of mood disorders (depression).

Predicting the effect of prandial stage and particle size on absorption of ODM-204

Predicting the effect of prandial stage and particle size on absorption of ODM-204

Authors: Ojala K, Schilderink R, Nykanen P, van Veen B, Malmstrom C, Juppo A, Korjamo T
Publication: Eur J Pharm Biopharm
Keywords: formulation development, gastroplus, in vitro dissolution, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling
Software: GastroPlus®

The prediction of absorption properties plays a key role in formulation development when the compound under development shows poor solubility...

Tyrosol 1,2,3-triazole analogues as new acetylcholinesterase (AChE) inhibitors

Tyrosol 1,2,3-triazole analogues as new acetylcholinesterase (AChE) inhibitors

Authors: Bousada GM, de Sousa BL, Furlani G, Agrizzi AP, Ferreira PG, Leite JPV, de O Mendes TA, Varejao EVV, Pilau EJ, dos Santos MH
Publication: Comput Biol Chem
Keywords: acetylcholinesterase, alzheimer's disease, docking, tyrosol
Software: ADMET Predictor®

The present work proposed the preparation of triazolic analogues of tyrosol, a biophenol found in olive oil and whose wide range of bioactivities...

IMI – Oral biopharmaceutics tools project – Evaluation of bottom-up PBPK prediction success part 4: Prediction accuracy and software comparisons with improved data and modelling strategies

IMI – Oral biopharmaceutics tools project – Evaluation of bottom-up PBPK prediction success part 4: Prediction accuracy and software comparisons with improved data and modelling strategies

Authors: Ahmad A, Pepin X, Aarons L, Wang Y, Darwich AS, Wood JM, Tannergren C, Karlsson E, Patterson C, Thörn H, Ruston L, Mattinson A, Carlert S, Berg S, Murphy D, Engman H, Laru J, Barker R, Flanagan T, Abrahamsson B, Budhdeo S, Franek F, Moir AJ, Hanisch G, Pathak SM, Turner DB, Jamei M, Brown J, Good D, Vaidhyanathan S, Jackson C, Nicolas O, Beilles S, Nguefack JF, Louit G, Henrion L, Ollier C, Boulu L, Xu C, Heimbach T, Xiojun R, Lin W, Nguyen-Trung AT, Zhang J, He H, Wu F, Bolger MB, Mullin JM, van Osdol W, Szeto KX, Korjamo T, Pappinen S, Tuunainen J, Zhu W, Xia B, Daublain P, Wong S, Manthena V, Modi S, Schafer KJ, Schmid K, Lloyd R, Patel A, Tistaert C, Bevernage J, Nguyen MA, Lindley D, Carr RA, Rostami-Hodjeganad A
Publication: Eur J Pharm Biopharm
Keywords: ACAT, gastroplus, mechanistic absorption, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling
Software: GastroPlus®
Division: Simulations Plus

Oral drug absorption is a complex process depending on many factors, including the physicochemical properties of the drug, formulation...

Morphological transition of M. tuberculosis and modulation of intestinal permeation by food grade cationic nanoemulsion: In vitro-ex vivo-in silico GastroPlus studies

Morphological transition of M. tuberculosis and modulation of intestinal permeation by food grade cationic nanoemulsion: In vitro-ex vivo-in silico GastroPlus studies

Authors: Alshehri S, Altamimi MA, Hussain A, Imam SS, Singh SK, Faruk A
Publication: J Drug Deliv Sci Technol
Keywords: enabled formulations, gastroplus, nanoparticles, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling
Software: GastroPlus®

The study aimed to investigate rifampicin (RIF) loaded cationic nanoemulsion (NE) for increased efficacy, facilitated intestinal...

DILIsym Simulations Support the Liver Safety of Ubrogepant in New Toxicological Sciences Publication

DILIsym Simulations Support the Liver Safety of Ubrogepant in New Toxicological Sciences Publication

Authors: Howell BA, Watkins PB, Woodhead JL
Keywords: DILI, DILIsym, hepatotoxicity, liver safety, liver toxicity, ubrogepant
Software: DILIsym®
Division: DILIsym Services

Dr. Paul B. Watkins and Dr. Jeff Woodhead discuss the DILIsym analysis of the latest publication in Toxicological Sciences! Small-molecule calcitonin gene...