Molecular modeling for potential cathepsin L inhibitor identification as new anti-photoaging agents from tropical medicinal plants

Molecular modeling for potential cathepsin L inhibitor identification as new anti-photoaging agents from tropical medicinal plants

Publication: J Bioenerg Biomemb
Software: ADMET Predictor®

Ultraviolet exposure can cause photoaging toward the human skin which is begun by the inflammation on the exposure area, also resulting in activation of a degradative enzyme cathepsin L.

Prediction of fraction unbound in plasma in children in data-limited scenarios for human health risk assessment

Prediction of fraction unbound in plasma in children in data-limited scenarios for human health risk assessment

Authors: Yun YE, Edginton AN
Publication: Computational Toxicology
Software: ADMET Predictor®

In human health risk assessment, pediatric physiologically-based pharmacokinetic modeling has been used to predict chemical-specific toxicokinetic adjustment factors.

A Phase 1b Study of Oral Chk1 Inhibitor LY2880070 as Monotherapy in Patients with Advanced or Metastatic Cancer

A Phase 1b Study of Oral Chk1 Inhibitor LY2880070 as Monotherapy in Patients with Advanced or Metastatic Cancer

Publication: ASCO

In the context of DNA damage, Checkpoint Kinase 1 (Chk1) mediates a checkpoint response which arrests the cell cycle and allows the cell to complete DNA repair and replication.

Experimental Solubility, Thermodynamic/Computational Validations, and GastroPlus-Based In Silico Prediction for Subcutaneous Delivery of Rifampicin

Experimental Solubility, Thermodynamic/Computational Validations, and GastroPlus-Based In Silico Prediction for Subcutaneous Delivery of Rifampicin

Publication: AAPS PharmSciTech
Software: GastroPlus®

We focused to explore a suitable solvent for rifampicin (RIF) recommended for subcutaneous (sub-Q) delivery [ethylene glycol (EG), propylene glycol...

Extemporaneous Compounding and Physiological Modeling of Amlodipine/Valsartan Suspension

Extemporaneous Compounding and Physiological Modeling of Amlodipine/Valsartan Suspension

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

In case of absent liquid dosage form, crushing a tablet or dispersing a capsule would be the most convenient option for using these drugs in patients with dysphagia difficulties.

In vitro and in vivo correlation for lipid-based formulations: Current status and future perspectives

In vitro and in vivo correlation for lipid-based formulations: Current status and future perspectives

Authors: Huang Y, Yu Q, Chen Z, Wu W, Zhu Q, Lu Y
Publication: Acta Pharm Sin B
Software: GastroPlus®
Division: PBPK

Lipid-based formulations (LBFs) have demonstrated a great potential in enhancing the oral absorption of poorly water-soluble drugs.

A comprehensive review of integrative pharmacology-based investigation: A paradigm shift in traditional Chinese medicine

A comprehensive review of integrative pharmacology-based investigation: A paradigm shift in traditional Chinese medicine

Publication: Acta Pharm Sin B
Software: GastroPlus®
Division: PBPK

Over the past decade, traditional Chinese medicine (TCM) has widely embraced systems biology and its various data integration approaches to promote its modernization.