Duration of pretomanid/moxifloxacin/pyrazinamide therapy compared with standard therapy based on time-to-extinction mathematics

Duration of pretomanid/moxifloxacin/pyrazinamide therapy compared with standard therapy based on time-to-extinction mathematics

Publication: J Antimicrob Chemother

Animal models have suggested that the combination of pretomanid with pyrazinamide and moxifloxacin (PaMZ) may shorten TB therapy duration to 3–4 months.

Integrating In Vitro Testing and Physiologically-Based Pharmacokinetic (PBPK) Modelling for Chemical Liver Toxicity Assessment – a Case Study of Troglitazone

Integrating In Vitro Testing and Physiologically-Based Pharmacokinetic (PBPK) Modelling for Chemical Liver Toxicity Assessment – a Case Study of Troglitazone

Publication: Environ Toxicol Pharmacol
Software: GastroPlus®

In vitro to in vivo extrapolation (IVIVE) for next-generation risk assessment (NGRA) of chemicals requires computational modeling and faces unique challenges.

Pharmacokinetic basis for dosing high-dose methotrexate in infants and young children with malignant brain tumours

Pharmacokinetic basis for dosing high-dose methotrexate in infants and young children with malignant brain tumours

Publication: Br J Clin Pharmacol

No population pharmacokinetic studies of high‐dose methotrexate (HDMTX) have been conducted in infants with brain tumours, which are a vulnerable population.

Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines

Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines

Publication: J Chem Inf Model
Software: ADMET Predictor®

The acid–base dissociation constant, pKa, is a key parameter to define the ionization state of a compound and directly affects its biopharmaceutical profile.

Combinatorial Designing of Novel Lead Molecules Towards the Putative Drug Targets of Extreme Drug-Resistant Mycobacterium tuberculosis: A Future Insight for Molecular Medicine

Combinatorial Designing of Novel Lead Molecules Towards the Putative Drug Targets of Extreme Drug-Resistant Mycobacterium tuberculosis: A Future Insight for Molecular Medicine

Publication: Essentials of Bioinformatics
Software: ADMET Predictor®

Mycobacterium tuberculosis (Mtb) is one of the notorious pathogens which has led to high mortality rates and demonstrated extreme drug resistance (XDR) to most of the conventional drugs and become a potential threat to public health worldwide.

New approaches to the synthesis of benzo[h]pyrroloisoquinoline derivatives

New approaches to the synthesis of benzo[h]pyrroloisoquinoline derivatives

Publication: Tetrahedron Letters
Software: ADMET Predictor®

An effective strategy for the synthesis of benzo[h]pyrrolo[2,1-a]isoquinoline derivatives has been developed.

Consensus models to predict oral rat acute toxicity and validation on a dataset coming from the industrial context

Consensus models to predict oral rat acute toxicity and validation on a dataset coming from the industrial context

Publication: SAR QSAR Environ Res
Software: ADMET Predictor®

We report predictive models of acute oral systemic toxicity representing a follow-up of our previous work in the framework of the NICEATM project.