Evaluation of models for predicting pediatric fraction unbound in plasma for human health risk assessment

Evaluation of models for predicting pediatric fraction unbound in plasma for human health risk assessment

Authors: Yun YE, Edginton AN
Publication: J Tox Env Health
Software: ADMET Predictor®

Pediatric physiologically based pharmacokinetic (PBPK) models facilitate the prediction of PK parameters in children under specific exposure conditions.

Liothyronine could block the programmed death-ligand 1 (PDL1) activity: an e-Pharmacophore modeling and virtual screening study

Liothyronine could block the programmed death-ligand 1 (PDL1) activity: an e-Pharmacophore modeling and virtual screening study

Publication: J Recept Signal Transduct
Software: ADMET Predictor®

The interaction between PD-L1 on tumor cells and the programmed death 1 (PD1) on immune cells helps them to escape the immune system elimination.

Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach

Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach

Publication: J Biomol Struct Dyn
Software: ADMET Predictor®

At present, there is no cure or vaccine for the devastating new highly infectious severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that has...

N-alkyl isatin derivatives: Synthesis, nematicidal evaluation and protein target identifications for their mode of action

N-alkyl isatin derivatives: Synthesis, nematicidal evaluation and protein target identifications for their mode of action

Publication: Pest Biochem Physiol
Software: ADMET Predictor®

Meloidogyne incognita is an economically dominant pathogen infesting a wide range of crops curbing their growth and productivity

What’s New in GastroPlus® v9.8

What’s New in GastroPlus® v9.8

Authors: Miller N
Software: GastroPlus®
Division: PBPK

GastroPlus® version 9.8 has the most innovative & integrative software improvements to accelerate drug development through...

Pharmacokinetics, Safety, and Tolerability of Oxfendazole in Healthy Adults in an Open-Label Phase 1 Multiple Ascending Dose and Food Effect Study

Pharmacokinetics, Safety, and Tolerability of Oxfendazole in Healthy Adults in an Open-Label Phase 1 Multiple Ascending Dose and Food Effect Study

Publication: Antimicrobial Agents and Chemotherapy
Software: ADMET Predictor®

Neurocysticercosis and trichuriasis are difficult-to-treat parasitic infections that affect more than 1.5 billion people worldwide. Oxfendazole...

Quantitative Prediction of Cisplatin-Induced Acute Kidney Injury Using RENAsym, a Mechanistic Quantitative Systems Toxicology Model, and Renal Proximal Tubule Epithelial Cell In vitro Assays

Quantitative Prediction of Cisplatin-Induced Acute Kidney Injury Using RENAsym, a Mechanistic Quantitative Systems Toxicology Model, and Renal Proximal Tubule Epithelial Cell In vitro Assays

Conference: American Society of Nephrology (ASN)
Software: RENAsym®

Nephrotoxic drugs like cisplatin cause acute kidney injury (AKI) through complex cellular mechanisms that include mitochondrial dysfunction...

Development of cardiotoxicity model using ligand-centric and receptor-centric descriptors

Development of cardiotoxicity model using ligand-centric and receptor-centric descriptors

Publication: Tox Res Applic
Software: ADMET Predictor®

Bioinformatics and statistical analysis have been employed to develop a classification model to distinguish
toxic and non-toxic molecules.