Prediction and Comparison of Drug likeliness properties of Primaquine and its structural analogues using In-Silico ADME and Toxicity Prediction Tools

Prediction and Comparison of Drug likeliness properties of Primaquine and its structural analogues using In-Silico ADME and Toxicity Prediction Tools

Publication: J Adv Bioinf Appl Res
Software: ADMET Predictor®

Five primaquine (PQ) analogues have been isolated by peroxydisulfate oxidation and were tested for antimalarial activity against Plasmodium yoelli infected mice.

Three-Dimensional Quantitative Structure-Activity Relationship Analysis for Human Pregnane X Receptor for the Prediction of CYP3A4 Induction in Human Hepatocytes: Structure-Based Comparative Molecular Field Analysis

Three-Dimensional Quantitative Structure-Activity Relationship Analysis for Human Pregnane X Receptor for the Prediction of CYP3A4 Induction in Human Hepatocytes: Structure-Based Comparative Molecular Field Analysis

Publication: J Pharm Sci
Software: ADMET Predictor®

The pregnane X receptor [PXR (NR1I2)] induces the expression of xenobiotic metabolic genes and transporter genes. In this study, we aimed to establish a computational method for...

Exploring BSEP inhibition-mediated toxicity with a mechanistic model of drug-induced liver injury

Exploring BSEP inhibition-mediated toxicity with a mechanistic model of drug-induced liver injury

Publication: Front Pharmacol
Software: DILIsym®

Inhibition of the bile salt export pump (BSEP) has been linked to incidence of drug-induced liver injury (DILI), presumably by the accumulation of toxic bile acids in the liver.

Evaluation of a Three Compartment In Vitro Gastrointestinal Simulator Dissolution Apparatus to Predict In Vivo Dissolution

Evaluation of a Three Compartment In Vitro Gastrointestinal Simulator Dissolution Apparatus to Predict In Vivo Dissolution

Publication: J Pharm Sci
Software: GastroPlus®

In vitro dissolution tests are performed for new formulations to evaluate in vivo performance, which is affected by the change of gastrointestinal (GI) physiology, in the GI tract.

Preparation and Evaluation of High Dispersion Stable Nanocrystal Formulation of Poorly Water-Soluble Compounds by Using Povacoat

Preparation and Evaluation of High Dispersion Stable Nanocrystal Formulation of Poorly Water-Soluble Compounds by Using Povacoat

Publication: J Pharm Sci
Software: GastroPlus®

In this study, we reported the application of Povacoat®, a hydrophilic polyvinylalcohol copolymer, as a dispersion stabilizer of nanoparticles of poorly water-soluble compounds.

A new in vitro system for evaluation of passive intestinal drug absorption: Establishment of a double artificial membrane permeation assay

A new in vitro system for evaluation of passive intestinal drug absorption: Establishment of a double artificial membrane permeation assay

Publication: Eur J Pharm Biopharm
Software: ADMET Predictor®

The aim of this present study was to establish a new in vitro assay, double artificial membrane permeation assay (DAMPA), to evaluate the human intestinal permeability of drugs.

The Poorly Membrane Permeable Antipsychotic Drugs Amisulpride and Sulpiride Are Substrates of the Organic Cation Transporters from the SLC22 Family

The Poorly Membrane Permeable Antipsychotic Drugs Amisulpride and Sulpiride Are Substrates of the Organic Cation Transporters from the SLC22 Family

Publication: AAPS J
Software: ADMET Predictor®

Variations in influx transport at the blood-brain barrier might affect the concentration of psychotropic drugs at their site of action and as a consequence might alter therapy response.

Systems pharmacology modeling predicts delayed presentation and species differences in bile acid-mediated troglitazone hepatotoxicity.

Systems pharmacology modeling predicts delayed presentation and species differences in bile acid-mediated troglitazone hepatotoxicity.

Publication: Clin Pharmacol Ther
Software: DILIsym®

Troglitazone (TGZ) causes delayed, life-threatening drug-induced liver injury in some patients but was not hepatotoxic in rats.

Improving genetic programming for the prediction of pharmacokinetic parameters

Improving genetic programming for the prediction of pharmacokinetic parameters

Authors: Vanneschi L
Publication: Memetic Computing
Software: ADMET Predictor®

The prediction of pharmacokinetic parameters is a crucial phase of the drug discovery process, and the automatization of this task is a hot topic in computational bio-medicine.

Development of nanocrystal formulation of meloxicam with improved dissolution and pharmacokinetic behaviors

Development of nanocrystal formulation of meloxicam with improved dissolution and pharmacokinetic behaviors

Publication: Int J Pharm
Software: GastroPlus®

The present study aimed to develop nanocrystal formulations of meloxicam (MEL) in order to enhance its biopharmaceutical properties and provide a rapid onset of action. Nanocrystal formulations were...

Synthesis of a novel universal opioid receptor agonist with the 1,3,5-trioxazatriquinane skeleton and its pharmacologies

Synthesis of a novel universal opioid receptor agonist with the 1,3,5-trioxazatriquinane skeleton and its pharmacologies

Publication: Bioorg Med Chem
Software: ADMET Predictor®

We designed and synthesized of 1,3,5-trioxazatriquinanes with o- or p-hydroxyphenyl rings as analogs of the κ opioid receptor agonist SYK-146 with m-hydroxyphenyl groups.

Biopharmaceutical profiling of new antitumor pyrazole derivatives

Biopharmaceutical profiling of new antitumor pyrazole derivatives

Publication: Molecules
Software: GastroPlus®

Several new pyrazole derivatives have demonstrated promising antiproliferative and cytotoxic effects, but their poor solubility raised concerns over possible biopharmaceutical limitations.

Pazopanib as third line therapy for metastatic renal cell carcinoma: clinical efficacy and temporal analysis of cytokine profile

Pazopanib as third line therapy for metastatic renal cell carcinoma: clinical efficacy and temporal analysis of cytokine profile

Publication: J Urol

Purpose: Pazopanib has been assessed primarily in cytokine refractory or treatment naïve patients with metastatic renal cell carcinoma. Outcomes have been associated...

Model-Based Bioequivalence assessment of a commercial Azithromycin Capsule against Pfizer Zithromax® Tablet marketed in Jamaica

Model-Based Bioequivalence assessment of a commercial Azithromycin Capsule against Pfizer Zithromax® Tablet marketed in Jamaica

Publication: J Appl Pharm Sci
Software: GastroPlus®

Clinical evidence indicated that effective substitution of azithromycin capsule with a tablet dosage form should be based on evidence of providing equivalent in vivo AUC/MIC ratio at the site of infection.

Isoxazolotacrines as non-toxic and selective butyrylcholinesterase inhibitors for Alzheimer’s disease

Isoxazolotacrines as non-toxic and selective butyrylcholinesterase inhibitors for Alzheimer’s disease

Publication: Future Med Chem
Software: ADMET Predictor®

Owing to the complex nature of Alzheimer's disease, there is a renewed and growing search for multitarget non-toxictacrines as simple, easily available drugs in order to stop the progress and development of the disease.

PEGylated cyclodextrins as novel siRNA nanosystems: Correlations between polyethylene glycol length and nanoparticle stability

PEGylated cyclodextrins as novel siRNA nanosystems: Correlations between polyethylene glycol length and nanoparticle stability

Publication: Int J Pharm
Software: GastroPlus®

Silencing disease-related genes in the central nervous system (CNS) using short interfering RNA (siRNA) holds great promise for treating neurological disorders.