Physiologically Based Pharmacokinetic Simulations Using Transdermal Compartmental Absorption and Transit Model (TCAT) for RLS-1496 Dermal Preparations

Physiologically Based Pharmacokinetic Simulations Using Transdermal Compartmental Absorption and Transit Model (TCAT) for RLS-1496 Dermal Preparations

Authors: Mollo R, Moreno R, Vora TB
Conference: AAPS
Software: GastroPlus®

RLS-1496 is a senolytic drug formulated as a cream for topical administration and currently in Phase 1 clinical trials for dermatological conditions. A 1% cream strength was determined to be a safe starting dose for first-in-human studies, based onnonclinical toxicology studies.

Derisking Formulation Strategies Using PBBM: Mechanistic Case Studies on Evaluating Food Effects and Guiding Dissolution Specifications

Derisking Formulation Strategies Using PBBM: Mechanistic Case Studies on Evaluating Food Effects and Guiding Dissolution Specifications

Authors: Mudie D
Conference: AAPS
Software: GastroPlus®

Understand how PBBM mechanistically integrates formulation dependent processes—such as dissolution, precipitation, gastrointestinal transit, and metabolism—to simulate oral drug absorption under varying prandial conditions.

Use of PBBM-PBPK To Predict Mesalamine Delayed-Release Oral Drug Products Performance in Both Healthy and Disease Physiologies

Use of PBBM-PBPK To Predict Mesalamine Delayed-Release Oral Drug Products Performance in Both Healthy and Disease Physiologies

Conference: AAPS
Software: GastroPlus®

Mesalamine (5-aminosalicylic acid (5-ASA)) is an anti-inflammatory drug indicated for the treatment of ulcerative colitis (UC) and Crohn’s disease (CD).

From In Vitro Dissolution Testing to In Vivo Clinical Pharmacokinetic Prediction Using PBPK Models for Oral Cavity Drug Products

From In Vitro Dissolution Testing to In Vivo Clinical Pharmacokinetic Prediction Using PBPK Models for Oral Cavity Drug Products

Conference: AAPS

This work develops a novel in vitro to in vivo extrapolation (IVIVE) method for the prediction of in vivo pharmacokinetic (PK) for oral cavity drug products (DP).

Exploring Artificial Intelligence’s Potential to Enhance Conventional Anticancer Drug Development

Exploring Artificial Intelligence’s Potential to Enhance Conventional Anticancer Drug Development

Publication: Drug Development Research
Software: ADMET Predictor®

Cancer affects one in three to four people globally, with over 20 million new cases and 10 million deaths annually, projected to rise to 35 million cases by 2050. Developing effective cancer treatments is crucial, but the drug discovery process is a highly complex and expensive endeavor, with success rates sitting well below 10% for oncologic therapies

Whole-Body Disposition and Metabolism of [14C]-2,4,4′-Trichlorobiphenyl (PCB28) Following Lung Administration in Rats

Whole-Body Disposition and Metabolism of [14C]-2,4,4′-Trichlorobiphenyl (PCB28) Following Lung Administration in Rats

Publication: Environmental Science & Technology
Software: ADMET Predictor®

Toxicities of lower-chlorinated biphenyls (LC-PCBs) have drawn increasing attention due to growing evidence of their presence in school indoor air, with 2,4,4′-trichlorobiphenyl (PCB28) being a prevalent congener.

QSAR-based Physiologically Based Pharmacokinetic (PBPK) Modeling for 34 Fentanyl Analogs: Model Validation, Human Pharmacokinetic Prediction and Abuse Risk Insights

QSAR-based Physiologically Based Pharmacokinetic (PBPK) Modeling for 34 Fentanyl Analogs: Model Validation, Human Pharmacokinetic Prediction and Abuse Risk Insights

Publication: Front Pharmacol
Software: GastroPlus®

Fentanyl analogs, as emerging new psychoactive substances (NPS), pose a global public health threat due to widespread abuse, high toxicity, and frequent overdose fatalities.

Expanding ADMET Predictor®’s Chemical Space: Enhanced bRo5 and Chameleon Molecule Predictions for HTPK

Expanding ADMET Predictor®’s Chemical Space: Enhanced bRo5 and Chameleon Molecule Predictions for HTPK

Conference: PhysChem Forum
Software: ADMET Predictor®
Division: Cheminformatics

ADMET Predictor has been enhanced to accurately predict properties of beyond Rule-of-Five (bRo5) molecules, including macrocycles and PROTACs.