Absorption, distribution, metabolism, excretion, and toxicity evaluation of Papua red fruit flavonoids through a computational study

Absorption, distribution, metabolism, excretion, and toxicity evaluation of Papua red fruit flavonoids through a computational study

Publication: IOP Conf Ser Earth Environ Sci
Software: ADMET Predictor®

Red Fruit (RF) (Pandanus conoideus Lam.) was used as traditional medicine for Papuans and consumed as a daily meal.

Amorphous Solid Dispersions in Early Stage of Formulation Development: Predicting Excipient Influence on Dissolution Profiles Using DDDPlus

Amorphous Solid Dispersions in Early Stage of Formulation Development: Predicting Excipient Influence on Dissolution Profiles Using DDDPlus

Publication: Dissolut Technol
Software: DDDPlus™

Excipients play an important role in the formulation of dosage forms and can be used to improve the bioavailability
of a drug through physical interactions that alter the rate of dissolution of a drug.

Improving the Accuracy of Predicted Human Pharmacokinetics: Lessons Learned from the AstraZeneca Drug Pipeline Over Two Decades

Improving the Accuracy of Predicted Human Pharmacokinetics: Lessons Learned from the AstraZeneca Drug Pipeline Over Two Decades

Publication: Trends Pharmacol Sci
Software: GastroPlus®

During drug discovery and prior to the first human dose of a novel candidate drug, the pharmacokinetic (PK) behavior of the drug in...

Improved Oral Pharmacokinetics of Pentoxifylline with Palm Oil and Capmul® MCM Containing Self-Nano-Emulsifying Drug Delivery System

Improved Oral Pharmacokinetics of Pentoxifylline with Palm Oil and Capmul® MCM Containing Self-Nano-Emulsifying Drug Delivery System

Publication: AAPS PharmSciTech
Software: GastroPlus®

Pentoxifylline (PTX), an anti-hemorrhage drug used in the treatment of intermittent claudication, is extensively metabolized by the liver resulting in a reduction of the therapeutic levels within a short duration of time.

Discordance between Etravirine Phenotype and Genotype-Based Predicted Phenotype for Subtype C HIV-1 from First-Line Antiretroviral Therapy Failures in South Africa

Discordance between Etravirine Phenotype and Genotype-Based Predicted Phenotype for Subtype C HIV-1 from First-Line Antiretroviral Therapy Failures in South Africa

Publication: Antimicrobial Agents and Chemotherapy

Etravirine (ETR) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in treatment-experienced individuals.

In vivo metabolic investigation of cetilistat in normal versus pseudo‐germ‐free rats using UPLC‐QTOFMS/MS and in silico toxicological evaluation of its metabolites

In vivo metabolic investigation of cetilistat in normal versus pseudo‐germ‐free rats using UPLC‐QTOFMS/MS and in silico toxicological evaluation of its metabolites

Publication: Biomed Chromatogr
Software: ADMET Predictor®

Cetilistat (CET) is a pancreatic lipase inhibitor approved for management of obesity after the serious adverse effects exhibited by its analogue orlistat.

Integration of in vitro data from three dimensionally cultured HepaRG cells and physiologically based pharmacokinetic modeling for assessment of acetaminophen hepatotoxicity

Integration of in vitro data from three dimensionally cultured HepaRG cells and physiologically based pharmacokinetic modeling for assessment of acetaminophen hepatotoxicity

Publication: Regul Toxicol Pharmacol
Software: GastroPlus®

Selection of appropriate fit-for-purpose in vitro and in silico models is critical for non-animal safety assessment of chemical-induced hepatoxicity.

Quantitative structure–toxicity relationships in translational toxicology

Quantitative structure–toxicity relationships in translational toxicology

Authors: Slavov S, Beger RD
Publication: Current Opinion in Toxicology
Software: ADMET Predictor®

During the past decade, quantitative structure–activity relationship (QSAR) enjoyed an ever-increasing application in various fields including...

Studies on effects of umbelliferon derivatives against periodontal bacteria; antibiofilm, inhibition of quorum sensing and molecular docking analysis

Studies on effects of umbelliferon derivatives against periodontal bacteria; antibiofilm, inhibition of quorum sensing and molecular docking analysis

Publication: Microb Pathogenesis
Software: ADMET Predictor®

Umbelliferon derivatives are exclusively found in plants of Ferula spp. that are commonly used in curing various health concerns related...

Computational studies of a series of 2-substituted phenyl-2-oxo-, 2-hydroxyl- and 2-acylloxyethylsulfonamides as potent anti-fungal agents

Computational studies of a series of 2-substituted phenyl-2-oxo-, 2-hydroxyl- and 2-acylloxyethylsulfonamides as potent anti-fungal agents

Authors: Isyaku Y, Uzairu A, Uba S
Publication: Heliyon
Software: ADMET Predictor®

Botrytis Cinerea is a plant pathogen that affect a large number of plant species like tomatoes, Lettuce, Grapes, and Strawberries among others...

Establishment of a clinically relevant specification for dissolution testing using physiologically based pharmacokinetic (PBPK) modeling approaches

Establishment of a clinically relevant specification for dissolution testing using physiologically based pharmacokinetic (PBPK) modeling approaches

Publication: Eur J Pharm Biopharm
Software: GastroPlus®

This paper presented how to establish a clinically relevant specification (CRS) using in silico physiologically based pharmacokinetic (PBPK) modeling.