Molecular Precision Medicine: Application of Physiologically Based Pharmacokinetic Modeling to Predict Drug–Drug Interactions Between Lidocaine and Rocuronium/Propofol/Paracetamol

Molecular Precision Medicine: Application of Physiologically Based Pharmacokinetic Modeling to Predict Drug–Drug Interactions Between Lidocaine and Rocuronium/Propofol/Paracetamol

Authors: Silva A, Mourão J, Vale N
Publication: International Journal of Molecular Sciences
Software: GastroPlus®
Division: PBPK

The perioperative period, encompassing preoperative, intraoperative, and postoperative phases, is crucial for comprehensive patient care.

Regulation of Adipocyte Differentiation and Lipid Metabolism by Novel Synthetic Chromenes Exploring Anti-obesity and Broader Therapeutic Potential

Regulation of Adipocyte Differentiation and Lipid Metabolism by Novel Synthetic Chromenes Exploring Anti-obesity and Broader Therapeutic Potential

Publication: Sci Reports
Software: ADMET Predictor®
Division: Cheminformatics

Obesity poses a significant global health challenge, necessitating the search for novel therapeutic agents to address this epidemic.

Avocado Fruit Peel as a Source of Antidiabetic drugs: Evidence from Molecular Docking Studies and ADMET Profiling

Avocado Fruit Peel as a Source of Antidiabetic drugs: Evidence from Molecular Docking Studies and ADMET Profiling

Publication: International Journal of Chemistry and Chemical Processes
Software: ADMET Predictor®
Division: Cheminformatics

Diabetes mellitus is a long-term metabolic disorder characterized by persistent hyperglycemia, which can lead to various health problem if left untreated.

Monoaminergic Neurotransmitters are Bimodal Effectors of Tau Aggregation

Monoaminergic Neurotransmitters are Bimodal Effectors of Tau Aggregation

Publication: Sci Adv
Software: ADMET Predictor®
Division: Cheminformatics

Neurotransmitters (NTs) mediate trans-synaptic signaling, and disturbances in their levels are linked to aging and brain disorders.

In vivo Performance of Amorphous Solid Dispersions Based on Water-Insoluble Versus Water-Soluble Carriers: Fenofibrate Case Study

In vivo Performance of Amorphous Solid Dispersions Based on Water-Insoluble Versus Water-Soluble Carriers: Fenofibrate Case Study

Publication: Int J Pharm
Software: GastroPlus®
Division: PBPK

The objective of this study is to address the unanswered question whether sustained supersaturation generated from amorphous solid dispersions (ASDs) formulated in insoluble hydrogel carriers will result in better bioavailability over that of spring-and-parachute type of dissolution profiles of ASDs formulated in water-soluble carriers

Development of the Pyrido[2,3-d]pyrimidin-7(8H)-one Scaffold toward Potent and Selective NUAK1 Inhibitors

Development of the Pyrido[2,3-d]pyrimidin-7(8H)-one Scaffold toward Potent and Selective NUAK1 Inhibitors

Publication: ACS Med Chem Lett
Software: ADMET Predictor®
Division: Cheminformatics

The protein kinase NUAK1 has been implicated in various biological functions including cell adhesion, migration and proliferation.

Application of an Interdisciplinary Approach to Form Selection in Drug Development

Application of an Interdisciplinary Approach to Form Selection in Drug Development

Publication: Organic Process Research & Development
Software: GastroPlus®
Division: PBPK

Selecting the development form of an active pharmaceutical ingredient (API) in drug development is key to determining the final performance of the drug substance and drug product.

Physiologically Based Pharmacokinetic and Physiologically Based Biopharmaceutic Models Research in Latin America: A Regional Level Bibliometric Analysis, 2011-2023

Physiologically Based Pharmacokinetic and Physiologically Based Biopharmaceutic Models Research in Latin America: A Regional Level Bibliometric Analysis, 2011-2023

Publication: Braz J Pharm Sci
Software: GastroPlus®
Division: PBPK

The landscape of scientific research in Latin America (LA), particularly in the realms of the Physiologically Based Pharmacokinetic (PBPK) and Physiologically Based Biopharmaceutic models (PBPM), is a mosaic of varied contributions, collaborations, and specializations.

Dosage Optimization Using Physiologically Based Pharmacokinetic Modeling for Pediatric Patients with Renal Impairment: A Case Study of Meropenem

Dosage Optimization Using Physiologically Based Pharmacokinetic Modeling for Pediatric Patients with Renal Impairment: A Case Study of Meropenem

Publication: AAPS PharmSciTech
Software: GastroPlus®
Division: PBPK

The pharmacokinetics of renally eliminated antibiotics can be influenced by changes associated with renal function and development in a growing subject. Little is known about the effects of renal insufficiency on the pharmacokinetics of meropenem in pediatric subjects.

Association Between Abatacept Exposure Levels and Infection Occurrence in Patients with Rheumatoid Arthritis: Post Hoc Analysis of the AVERT-2 Study

Association Between Abatacept Exposure Levels and Infection Occurrence in Patients with Rheumatoid Arthritis: Post Hoc Analysis of the AVERT-2 Study

Publication: The Journal of Rheumatology
Therapeutic Areas: Rheumatology

 To determine if higher serum exposure during subcutaneous (SC) abatacept treatment was associated with an increased infection risk in adult patients with early rheumatoid arthritis (RA).

Molecular Docking, ADMET, DFT Studies, and Retrosynthesis Strategy of New Benzimidazolone Derivatives as HIV-1 Reverse Transcriptase (RT) Inhibitors

Molecular Docking, ADMET, DFT Studies, and Retrosynthesis Strategy of New Benzimidazolone Derivatives as HIV-1 Reverse Transcriptase (RT) Inhibitors

Publication: Journal of Medicinal and Chemical Sciences
Software: ADMET Predictor®
Division: Cheminformatics

HIV-1, or Human Immunodeficiency Virus type 1, is a global pandemic that affects millions of individuals worldwide.

Neuropharmacological Profile of New Thiazepinone and Thiazolidinone Compounds Designed by Virtual Screening

Neuropharmacological Profile of New Thiazepinone and Thiazolidinone Compounds Designed by Virtual Screening

Publication: Braz J Pharm Sci
Software: ADMET Predictor®
Division: Cheminformatics

To evaluate the neuropharmacological profile of new spiro thiazepinone and thiazolidinone compounds in CD1 mice after a computer-aided virtual screening based on a GABA-A/BZD site.

Improving Individualized Salbutamol Treatment: A Population Pharmacokinetic Model for Oral Salbutamol in Virtual Patients

Improving Individualized Salbutamol Treatment: A Population Pharmacokinetic Model for Oral Salbutamol in Virtual Patients

Authors: Marques L, Vale N
Publication: Pharmaceutics
Software: GastroPlus®
Division: PBPK

Salbutamol, a short-acting β2-agonist used in asthma treatment, is available in multiple formulations, including inhalers, nebulizers, oral tablets, and intravenous, intramuscular, and subcutaneous routes.

Characterization of Preclinical Radio ADME Properties of ARV-471 for Predicting Human PK Using PBPK Modeling

Characterization of Preclinical Radio ADME Properties of ARV-471 for Predicting Human PK Using PBPK Modeling

Publication: J Pharm Analysis
Software: GastroPlus®
Division: PBPK

Proteolysis-targeting chimeras (PROTACs) represent a promising class of drugs that can target disease-causing proteins more effectively than traditional small molecule inhibitors can, potentially revolutionizing drug discovery and treatment strategies.

In silico Model to Predict Dermal Absorption of Chemicals in Finite Dose Conditions

In silico Model to Predict Dermal Absorption of Chemicals in Finite Dose Conditions

Publication: The Journal of Toxicological Sciences
Software: GastroPlus®
Division: PBPK
Therapeutic Areas: PBPK

The development of in silico approaches that can estimate the dermal absorption of chemicals exposed in practical conditions is highly anticipated. In the present study, an in silico model to estimate both the dermal absorption rate and dermal permeation profile was developed for the application of chemicals in finite dose conditions.

Advancing Systemic Toxicity Risk Assessment: Evaluation of a NAM-based Toolbox Approach

Advancing Systemic Toxicity Risk Assessment: Evaluation of a NAM-based Toolbox Approach

Publication: Toxicol Sci
Software: GastroPlus®
Division: PBPK

For many years, a method that allowed systemic toxicity safety assessments to be conducted without generating new animal test data, seemed out of reach.