Budesonide is a corticosteroid used to treat inflammatory bowel diseases (IBD) (1)
Delineating the Role of Transporters in the Absorption and Disposition of Digoxin Using the Physiologically Based Pharmacokinetic (PBPK) Modeling
Digoxin (DIG) is one of the cardiac glycosides that inhibits sodium-potassium ATPase, an enzyme that regulates the intracellular concentration of sodium and potassium.
Enhanced PBPK-Based In Vitro to In Vivo Extrapolation Method to Support the Development of Pulmonary Drug Products
Orally inhaled drug products (OIDPs) are used to treat pulmonary diseases. OIDP absorption occurs in three phases: deposition, dissolution, and permeation.
Mechanistic in vitro Oral Absorption Model to Predict Mucosal Permeability of Oral Cavity Drug Products
Buccal delivery allows patient compliance, ease of drug administration and potential bypass of first-pass metabolism
Mechanistic Model of in vitor Intraoral Absorption of Buprenorphine for the Buccal and Gingival Mucosa
Long-term use of buprenorphine oral cavity drug products (DP) poses risks of dental issues [1] and the underlying reason is not well understood
Integration of Gut Microbiome Metabolism in a PBBM-PBPK Model: its impact on the Sulfasalazine absorption
Inflammatory bowel disease (IBD) is a recurrent or continuous inflammation of the bowel that affects 1.4 million patients in the United States.
Dermal PBPK Model For Psoriatic Skin: Clobetasol Propionate Case Study
Psoriasis is a chronic inflammatory disease often treated by drug products applied on the skin surface, and it is well accepted that disease-mediated physiological changes in the skin can significantly affect the permeation of active pharmaceutical ingredients (APIs) through the skin layers.
Systematic Evaluation of Underlying Models That Improve Purely In-Silico High-Throughput Mechanistic Pbpk Predictions Across Species
The ability to quickly and accurately predict key PK properties based solely on chemical structure can aid in several tasks.
Multicriteria Decision Aiding in the service of Drug Discovery
Drug discovery is inherently a multicriteria optimization problem.
Predicting dose-dependent fraction absorbed via a mechanistic absorption model and machine learning
Drug dissolution and absorption are crucial in oral drug delivery.
Pemvidutide, a glucagon-like peptide 1/glucagon dual receptor agonist, improves metabolic dysfunction-associated steatohepatitis activity and fibrosis in a clinical quantitative systems pharmacology model
Elevated liver fat content (LFC) is the primary pathophysiologic driver of metabolic dysfunction-associated steatohepatitis (MASH). In prior clinical trials, pemvidutide...
Evaluation of the Dissolution Behavior of the Lysosomotropic Drug Amlodipine using Physiologically Based Biopharmaceutics Modeling (PBBM)
Amlodipine (AML) is a weak base drug (pKa 9.1, lop=2.96) belonging to class I of the BCS and therefore a candidate for biowaiver.
Evaluation of the Dissolution Behavior of Etodolac Tablers Using Physiologically Based Biopharmaceutics Modeling (PBBM) Approach
Etodolac is a non-steroidal, anti-inflammatory, acidic molecule (pKa 4.65) with pH-dependent solubility and classified as a BCS class II drug [1].
Best of Both Worlds: An Expansion of the State of the Art pKa Model with Data from Three Industrial Partners
In a unique collaboration between Simulations Plus and several industrial partners, we were able to develop a new version 11.0 of the previously published1 in silico pKa model, S+pKa, with considerably improved prediction accuracy.
A Biomarker-Focused QSP Model of Complement Alternative and Terminal Pathways to Evaluate Potential Targets for Therapeutic Impact in Complement-Associated Diseases: Paroxysmal Nocturnal Hemoglobinuria (PNH) as a Case Study
Complement overactivity has been implicated in multiple diseases, including PNH...
Framework for Classifying Chemicals for Repeat Dose Toxicity using NAMs
Initially all chemicals are of High concern. Reassessment is based on accumulating evidence to potentially move chemicals to Medium or Low concern.
Evaluating Immune Checkpoint Inhibitors for Liver Toxicity in a Biomimetic Liver Microphysiology Model
The prominence of biologic drugs has rapidly gained traction and has delivered life-changing...
Investigating the Potential Hepatotoxicity of ORM-48824 in a Quantitative Systems Toxicology Platform for Liver Safety, DILIsym®
ORM-48824 is a transient receptor potential Ankyrin-1 (TRPA1) antagonist and was initially being developed for patients with diabetic neuropathic pain...
Prediction of Multidrug Resistance Protein 3 (MDR3) Inhibition-mediated Cholestatic Drug-induced Liver Injury (DILI) Using Quantitative Systems Toxicology (QST) Modeling
DILI is a primary cause of acute liver failure and reason for the termination of drug development programs...
Modeling and Simulation of Acetaminophen Pharmacokinetics and Hepatic Biomarkers After Overdoses of Extended-Release and Immediate-Release Formulations with DILIsym, a Quantitative Systems Toxicology (QST) Software Platform
The analgesic/antipyretic acetaminophen (APAP) has multiple formulations including immediate-, modified-, and extended-release preparations...