Predicting Pharmacokinetic Profiles Using In Silico Derived Parameters

Predicting Pharmacokinetic Profiles Using In Silico Derived Parameters

Authors: Hosea NA, Jones HM
Publication: Mol Pharm
Software: GastroPlus®

Human pharmacokinetic (PK) predictions play a critical role in assessing the quality of potential clinical candidates where the accurate estimation of clearance, volume of distribution, bioavailability...

Pharmacokinetic Profile of an Ascending-Dose, Estrogen/Progestin Combination Oral Contraceptive

Pharmacokinetic Profile of an Ascending-Dose, Estrogen/Progestin Combination Oral Contraceptive

Conference: Society for Gynecologic Investigation (SGI)

The estrogen component of oral contraceptives provides stability to the endometrium so that irregular shedding and unwanted breakthrough bleeding are minimized. An ascending-dose, extended-regimen…

The PK/PD Relationship of Ethinyl Estradiol and Unscheduled Bleeding or Spotting for an Ascending-dose, Estrogen/Progestin Combination Oral Contraceptive (OC)

The PK/PD Relationship of Ethinyl Estradiol and Unscheduled Bleeding or Spotting for an Ascending-dose, Estrogen/Progestin Combination Oral Contraceptive (OC)

Conference: Society for Gynecologic Investigation (SGI)

The estrogen component of OCs provides stability to the endometrium so that irregular shedding and unwanted breakthrough bleeding are minimized. An ascending-dose, extended-regimen ethinyl estradiol…

Mechanistic Modeling Reveals the Most Important Unknowns in Bile Acid-Mediated DILI

Mechanistic Modeling Reveals the Most Important Unknowns in Bile Acid-Mediated DILI

Conference: SOT
Software: DILIsym®

BSEP inhibition and consequent bile acid (BA) buildup has been proposed to be an important mechanism in druginduced liver injury (DILI). There are many gaps in the knowledge of BA homeostasis and its…

DILIsym™, a Mechanistic Model of Drug-Induced Liver Injury, Supports the Interpretation of Elevated Liver Transaminase Levels in a Healthy Volunteer Pooled Safety Population for an Orphan Drug Designed for a Life-Threatening Situation

DILIsym™, a Mechanistic Model of Drug-Induced Liver Injury, Supports the Interpretation of Elevated Liver Transaminase Levels in a Healthy Volunteer Pooled Safety Population for an Orphan Drug Designed for a Life-Threatening Situation

Conference: ASCPT
Software: DILIsym®

Compound A is in development for a life-threatening situation. The “Animal Rule” applies to efficacy, but not to safety assessment, which must be determined in humans. In a pooled safety population…

Optimizing Solubility and Permeability of a Biopharmaceutics Classification System (BCS) Class 4 Antibiotic Drug using Lipophilic Fragments Disturbing the Crystal Lattice

Optimizing Solubility and Permeability of a Biopharmaceutics Classification System (BCS) Class 4 Antibiotic Drug using Lipophilic Fragments Disturbing the Crystal Lattice

Publication: J Med Chem
Software: ADMET Predictor®

Esterification was used to simultaneously increase solubility and permeability of ciprofloxacin, a biopharmaceutics classification system (BCS) class 4 drug (low solubility/low permeability) with solid-state limited solubility.

Predicting Pharmacokinetic Profiles Using in Silico Derived Parameters

Predicting Pharmacokinetic Profiles Using in Silico Derived Parameters

Authors: Hosea NA, Jones HM
Publication: Molecular Pharmaceutics
Software: ADMET Predictor®

Human pharmacokinetic (PK) predictions play a critical role in assessing the quality of potential clinical candidates where the accurate estimation of clearance, volume of distribution, bioavailability, and the plasma-concentration- time profiles are the desired end points.

Interaction of Silymarin Flavonolignans with Organic Anion Transporting Polypeptides (OATPs)

Interaction of Silymarin Flavonolignans with Organic Anion Transporting Polypeptides (OATPs)

Publication: Drug Metab Dispos
Software: ADMET Predictor®

Organic anion-transporting polypeptides (OATPs) are multispecific transporters mediating the uptake of endogenous compounds and xenobiotics in tissues that are important for drug absorption...

Three-Dimensional Quantitative Structure–Activity Relationship Analysis of Inhibitors of Human and Rat Cytochrome P4503A Enzymes

Three-Dimensional Quantitative Structure–Activity Relationship Analysis of Inhibitors of Human and Rat Cytochrome P4503A Enzymes

Publication: Drug Metab Pharmacokinet
Software: ADMET Predictor®

Cytochrome P450 3A4 (CYP3A4) is a member of the CYP family and is an important enzyme in drug metabolism.