Design, Synthesis, and Pharmacological Evaluation of Metabolically Stable Apelin Receptor Antagonists with Improved In Vivo Exposure and Efficacy in Ovarian Cancer

Design, Synthesis, and Pharmacological Evaluation of Metabolically Stable Apelin Receptor Antagonists with Improved In Vivo Exposure and Efficacy in Ovarian Cancer

Publication: J Med Chem
Software: ADMET Predictor®

The apelin receptor (APJ) has emerged as a potential novel therapeutic target in cancer due to its role in regulating cell proliferation, angiogenesis, and metastasis.

Novel Descriptors and Models for More Accurate ADME Predictions of Beyond Rule of Five Molecules

Novel Descriptors and Models for More Accurate ADME Predictions of Beyond Rule of Five Molecules

Publication: ChemRxiv

This study addresses the critical need for improved physicochemical descriptors and predictive models tailored to beyond Rule of Five (bRo5) compounds, including PROTACs and cyclic peptides. B

Development of a Pregnancy-Specific Physiologically Based Pharmacokinetics (PBPK) Model for Aspirin

Development of a Pregnancy-Specific Physiologically Based Pharmacokinetics (PBPK) Model for Aspirin

Publication: CPT Pharmacometrics Syst Pharmacol
Software: GastroPlus®

Aspirin is one of the most commonly used medications in pregnancy, particularly for the prevention of hypertensive disorders.

Quantitative Systems Toxicology Modeling with DILIsym to Support Phase 3 Dose Selection for Fezolinetant

Quantitative Systems Toxicology Modeling with DILIsym to Support Phase 3 Dose Selection for Fezolinetant

Publication: Clin Pharmacol Ther
Software: DILIsym®

Fezolinetant is a first-in-class, selective, non-hormonal, neurokinin 3 receptor antagonist that is approved for the treatment of moderate to severe vasomotor symptoms due to menopause.

Unveiling Anticancer Potential of Imidazo-Pyridine/Pyrazine-Fused bicyclic Heterocycles: Insights From in silico and in vitro Studies

Unveiling Anticancer Potential of Imidazo-Pyridine/Pyrazine-Fused bicyclic Heterocycles: Insights From in silico and in vitro Studies

Publication: In Silico Research in Biomedicine

Cancer is a significant global health challenge and the second leading cause of death worldwide, responsible for millions of fatalities annually.

Physiologically Based Pharmacokinetic Model for Clinical Translation and Prediction of Drug Interaction of the Major Kratom Alkaloid, Mitragynine

Physiologically Based Pharmacokinetic Model for Clinical Translation and Prediction of Drug Interaction of the Major Kratom Alkaloid, Mitragynine

Publication: ACS Pharmacology & Translational Science
Software: GastroPlus®

The opioid crisis presents a significant public health issue and underscores the urgency of developing effective treatments for opioid use disorder (OUD).

How to Streamline Your DMTA Cycle While Being ADMET Aware From the First Iteration

How to Streamline Your DMTA Cycle While Being ADMET Aware From the First Iteration

Authors: Sanderson T

Drug discovery has always been a balancing act, with scientists constantly striving for ‘Goldilocks’ compounds – the search for molecules that achieve on-target activity, while also avoiding hidden liabilities such as toxicity, poor exposure, or unfavorable pharmacokinetics, can seem insurmountable at times.