A Review of Current Methods for Food Effect Prediction During Drug Development

A Review of Current Methods for Food Effect Prediction During Drug Development

Authors: Zhang T, Wells E
Publication: Curr Pharmacol Rep
Keywords: fasted state, fed state, food effect, gastroplus, mechanistic absorption model, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling
Software: GastroPlus®

Ingestion of oral dosage forms with food can drastically change drug pharmacokinetic parameters to consumption in fasted state. Accurate prediction...

Partition coefficient and diffusion coefficient determinations of 50 compounds in human intact skin, isolated skin layers and isolated stratum corneum lipids

Partition coefficient and diffusion coefficient determinations of 50 compounds in human intact skin, isolated skin layers and isolated stratum corneum lipids

Authors: Ellison CA, Tankersley KO, Obringer CM, Carr GJ, Manwaring J, Rothe H, Duplan H, Géniès C, Grégoire S, Hewitt NJ, Klaric M, Lange D, Rolaki A, Schepky A
Publication: Toxicol In Vitro
Keywords: Diffusion coefficient, Infinite dose, partition coefficient, Skin absorption, skin penetration
Software: ADMET Predictor®

A standard protocol was used to determine partition (K) and diffusion (D) coefficients in dermatomed human skin and isolated human skin layers...

Toxicity and Structural Activity Relationship of Persistent Organic Pollutants

Toxicity and Structural Activity Relationship of Persistent Organic Pollutants

Authors: Khare A, Jadhao P, Paliya S, Kumari K
Publication: Frontiers in Enzyme Inhibition
Keywords: neurotoxicity, Perfluorooctane Sulfonate(PFOS), Persistent Organic Pollutants, Polybrominated Diphenyl Ethers (PBDEs), Polychlorinated Biphenyls (PCBs), Structure-Activity Relationships (SAR), Thyroid hormones
Software: ADMET Predictor®

Persistent Organic Pollutants (POPs) are organic compounds of mainly anthropogenic origin posing a huge threat to human health and the ecosystem.

Inter-compound and Intra-compound Global Sensitivity Analysis of a Physiological Model for Pulmonary Absorption of Inhaled Compounds

Inter-compound and Intra-compound Global Sensitivity Analysis of a Physiological Model for Pulmonary Absorption of Inhaled Compounds

Authors: Melillo N, Grandoni S, Cesari N, Brogin G, Puccini P, Magni P
Publication: AAPS J
Keywords: global sensitivity analysis, inter-compound, intra-compound, model assessment, model building, PBPK, pulmonary absorption model
Software: ADMET Predictor®

In recent years, global sensitivity analysis (GSA) has gained interest in physiologically based pharmacokinetics (PBPK) modelling and simulation from...

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: Clinical Pharmacology and Pharmacometrics (CPP)

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: PBPK

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...