Ionization Prediction Summit Webinar Series: Session 1 Fundamentals of Ionization

Ionization Prediction Summit Webinar Series: Session 1 Fundamentals of Ionization

Authors: Fraczkiewicz R, Jamois E, Nevarez J
Keywords: admet predictor, drug development, ionization prediction, Ionization Prediction Summit, multiprotic ionization
Software: ADMET Predictor®
Division: PBPK

In the Ionization Prediction Summit webinar series, leading industry experts will explain ionization, how ionization modeling works, how ionization models are influenced by the large amounts of industrial data...

Mechanistic modeling of intramuscular administration of long-acting injectable suspensions accounting for fibrosis at the depot site

Mechanistic modeling of intramuscular administration of long-acting injectable suspensions accounting for fibrosis at the depot site

Authors: Amaral Silva D, Malavia N, Burgess DJ, Khondoker A, Lukacova V
Conference: AAPS
Keywords: AAPS2023, gastroplus, In vitro in vivo correlations (IVIVC), intramuscular (IM) drug delivery, Long Acting Injectable, PBPK modeling
Software: GastroPlus®
Division: PBPK

Antipsychotic drugs formulated as long-acting injectables (LAIs) significantly improve patient compliance compared to regimens that require daily oral administration.

Physiologically Based Pharmacokinetic (PBPK) Modeling of Fexofenadine and Assessment of Transporter DDIs of Fexofenadine with P-gp inducers and inhibitors

Physiologically Based Pharmacokinetic (PBPK) Modeling of Fexofenadine and Assessment of Transporter DDIs of Fexofenadine with P-gp inducers and inhibitors

Authors: Suvarchala A, Graves RH, Lukacova V
Conference: AAPS
Keywords: AAPS2023, ACAT model, DDI models, gastroplus, PBPK modeling
Software: GastroPlus®
Division: PBPK

Fexofenadine (FEX), a H1-receptor antagonist used in the treatment of allergic rhinitis and chronic idiopathic urticaria, undergoes minimal metabolism and transporters play a major role in its absorption and disposition.

Physiologically Based Pharmacokinetic (Pbpk) Oral Absorption Model To Predict Mucosal Permeability of Oral Cavity Drug Products

Physiologically Based Pharmacokinetic (Pbpk) Oral Absorption Model To Predict Mucosal Permeability of Oral Cavity Drug Products

Authors: Kalra P, Le Merdy M, Lukacova V, Dwivedi P, Alam K, Tsakalozou E, Al-Ghabeish M, Pauletti GM, Zhou H
Conference: AAPS
Keywords: AAPS2023, drug products, gastroplus, in vitro in vivo relationship, membraneplus, oral absorption, PBPK modeling
Software: GastroPlus®, MembranePlus™
Division: PBPK

Buccal delivery allows bypassing first-pass metabolism

Metformin inhibits digestive proteases and impairs protein digestion in mice

Metformin inhibits digestive proteases and impairs protein digestion in mice

Authors: Kelly CJ, Verdegaal AA, Anderson BW, Shaw WL, Bencivenga-Barry NA, Folta-Stogniew E, Goodman AL
Publication: J Biol Chem
Keywords: ACAT, gastroplus, local gi diseases, mechanistic absorption, pbam, pbbm, PBPK modeling, physiologically based pharmacokinetics
Software: ADMET Predictor®, GastroPlus®

Metformin is among the most prescribed medications worldwide and the first-line therapy for type 2 diabetes.

Comprehensive Physiologically Based Pharmacokinetic Model to Assess Drug–Drug Interactions of Phenytoin

Comprehensive Physiologically Based Pharmacokinetic Model to Assess Drug–Drug Interactions of Phenytoin

Authors: Rodriguez-Vera L, Yin X, Almoslem M, Romahn K, Cicali B, Lukacova V, Cristofoletti R, Schmidt S
Publication: Pharmaceutics
Keywords: 2c19, 2c9, 3a4, cytochrome P450, ddI, Drug-drug interactions, gastroplus, PBPK modeling, physiologically based pharmacokinetics
Software: GastroPlus®
Division: PBPK

Regulatory agencies worldwide expect that clinical pharmacokinetic drug–drug interactions (DDIs) between an investigational new drug...

Population pharmacokinetic modelling to confirm weight-based banded dosing and exposure-response efficacy analyses to support trofinetide treatment in rett syndrome

Population pharmacokinetic modelling to confirm weight-based banded dosing and exposure-response efficacy analyses to support trofinetide treatment in rett syndrome

Authors: Darwish M, Passarell JA, Fellows Maxwell K, Youakim JM, Bradley H, Bishop KM
Conference: Child Neurology Society (CNS) Annual Meeting
Keywords: E-R, exposure-response efficacy analyses, population pharmacokinetics, rett syndrome, Rett Syndrome Behaviour Questionnaire, RSBQ, RTT, Trofinetide, weight-based dosing
Division: Clinical Pharmacology and Pharmacometrics (CPP)

Trofinetide, a synthetic analog of glycine-proline-glutamate, was approved by the US Food and Drug Administration in March 2023 for the treatment of...

Preclinical Pharmacokinetics and Translational Pharmacokinetic/Pharmacodynamic Modeling of M8891, a Potent and Reversible Inhibitor of Methionine Aminopeptidase 2

Preclinical Pharmacokinetics and Translational Pharmacokinetic/Pharmacodynamic Modeling of M8891, a Potent and Reversible Inhibitor of Methionine Aminopeptidase 2

Authors: Lignet F, Friese-Hamim M, Jaehrling F, El Bawab S, Rohdich F
Publication: Pharm Res
Keywords: fih, FIHSimulator, gastroplus, PBPK modeling, pharmacodynamics, physiologically based pharmacokinetics, pkpd
Software: GastroPlus®

M8891 is a selective and reversible inhibitor of methionine aminopeptidase 2 (MetAP2).

Pharmacokinetics of the novel 5-HT4 receptor agonist, DA-6886, in dogs

Pharmacokinetics of the novel 5-HT4 receptor agonist, DA-6886, in dogs

Authors: Lee DY, Kang HE
Publication: Xenobiotica
Keywords: beagle, biopharmaceutics, food effect, gastroplus, mechanistic absorption, nonlinear pk, pbbm, PBPK modeling, physiologically based pharmacokinetics
Software: ADMET Predictor®, GastroPlus®

The pharmacokinetics of a new 5-hydroxytryptamine receptor 4 agonist, DA-6886, intended for the treatment of constipation-predominant irritable bowel syndrome...

Population Pharmacokinetics of Molnupiravir in Adults With COVID-19: Lack of Clinically Important Exposure Variation Across Individuals

Population Pharmacokinetics of Molnupiravir in Adults With COVID-19: Lack of Clinically Important Exposure Variation Across Individuals

Authors: Bihorel S, Cao Y, Chawla A, Birger R, Maas BM, Gao W, Roepcke S, Sardella S, Humphrey RL, Kondragunta S, Jayaraman B, Martinho M, Painter W, Painter GR, Holman W, De Anda C, Brown ML, Johnson MG, Paschke A, Rizk ML, Stone J
Publication: CPT Pharmacometrics Syst Pharmacol
Keywords: COVID-19, Molnupiravir, pharmacokinetics, population pharmacokinetics, SARS-CoV-2, severe acute respiratory syndrome-coronavirus 2
Division: Clinical Pharmacology and Pharmacometrics (CPP)

Effective antiviral treatments for coronavirus disease 2019 (COVID-19) are needed to reduce the morbidity and mortality associated with severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) infection, particularly...

From Target Identification to Novel Lead: How Multi-omics Analysis and AI-driven Drug Design Can Accelerate Early Drug Discovery

From Target Identification to Novel Lead: How Multi-omics Analysis and AI-driven Drug Design Can Accelerate Early Drug Discovery

Authors: Jones J, Pickett B, Gill T, Jamois E, Nevarez J
Keywords: admet predictor, ai drug discovery, AI-Driven Drug Design, multi-omics, pythia biosciences
Software: ADMET Predictor®
Division: PBPK

One of the key areas for optimization in the drug development process is the discovery stage. Traditional methods are time-consuming and often produce leads that ultimately fail.

Comparative Evaluation of Particle Size Reduction, Salt Formation, and Amorphous Formulation on the Biopharmaceutical Performance of a Weak Base Drug Candidate

Comparative Evaluation of Particle Size Reduction, Salt Formation, and Amorphous Formulation on the Biopharmaceutical Performance of a Weak Base Drug Candidate

Authors: Zhang W, Jia W, Weitz BW, Ma F, Chen Y, Chiang PC, Hou HH, Nagapudi K
Publication: Mol Pharm
Keywords: gastroplus, mechanistic absorption, pbam, PBPK modeling, physiologically based biopharmaceutics modeling, preformulation, sensitivity analysis
Software: GastroPlus®

Various approaches have been developed to enhance the solubility or dissolution rate for the delivery of poorly water-soluble molecules.

Virtual Docking, design and in silico ADMET profiling of novel Rho-associated protein kinases-1 (ROCK1) inhibitors

Virtual Docking, design and in silico ADMET profiling of novel Rho-associated protein kinases-1 (ROCK1) inhibitors

Authors: Beljkas M, Rebic J, Radan M, Dikic T, Oljacic S, Nikolic K
Publication: 2nd International Conference on Chemo and BioInformatics, Kragujevac, September 28-29, 2023, Serbia
Keywords: ADMET, admet predictor, cancer treatment, in silico, molecular docking
Software: ADMET Predictor®

Overexpression of Rho-associated protein kinases has been associated with various diseases, including tumors.