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

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.

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.

Oral Pro‑Transferosome Tablets of Carica papaya Leaf Extract: Box–Behnken Optimization and In Silico Mechanistic Insights for Dengue‑Associated Thrombocytopenia

Oral Pro‑Transferosome Tablets of Carica papaya Leaf Extract: Box–Behnken Optimization and In Silico Mechanistic Insights for Dengue‑Associated Thrombocytopenia

Publication: J Pharma Innovation
Software: GastroPlus®

Carica papaya L. leaf extract has long been recognized for its therapeutic potential in dengue-associated thrombocytopenia through enhancement of platelet production and inhibition of dengue viral proteases.

Comprehensive PBPK Evaluation of Phenytoin and Indomethacin: Dose, Age, Pregnancy and Drug–Drug Interaction Insights

Comprehensive PBPK Evaluation of Phenytoin and Indomethacin: Dose, Age, Pregnancy and Drug–Drug Interaction Insights

Publication: International Journal of Translational Medicine
Software: GastroPlus®

Understanding the pharmacokinetics (PK) of antiepileptic and anti-inflammatory drugs under different physiological conditions is essential for optimizing therapy.