The liability of the H2-receptor antagonist nizatidine (NZ) to nitrosation in simulated gastric juice (SGJ) and under WHO-suggested conditions was investigated for the first time.
in silico screening and molecular dynamics simulations study to identify novel potent inhibitors against Mycobacterium tuberculosis DnaG primase
Tuberculosis remains a major global health threat killing millions of people.
Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II
Assessing the hERG liability in the early stages of drug discovery programs is important.
Physiologically Based Pharmacokinetic (PBPK) Modelling for In Vitro-In Vivo Extrapolation: Emphasis on the Use of Dissolution Data
Recently the pharmaceutical sector has witnessed a drastic rise in the advancement and incorporation of computer based technology into several unit operations.
Formulation and characterization of novel lipid-based drug delivery systems containing polymethacrylate polymers as solid carriers for sustained release of simvastatin
Formulation of lipid-based drug delivery systems is recognized as a promising strategy to increase bioavailability of simvastatin (SV).
Justification of Biowaiver and Dissolution Rate Specifications for Piroxicam Immediate Release Products Based on Physiologically Based Pharmacokinetic Modeling: An In-Depth Analysis
A quantitative prediction of human pharmacokinetic (PK) profiles has become an increasing demand for the reduction of the clinical failure of drug formulations.
Identification and Control of Pseudo Degradation Products during Stress Testing on Drugs
This short note discusses a few examples of pseudo DPs observed by us or by other authors.
Synthesis and Investigation on the Antidiabetic Effect of 3-aryl-1-(5-methylisoxazol-3-ylamino)-1-(4-nitrophenyl) Propan-1-one
Diabetes mellitus is the third-largest non-communicable chronic disease worldwide.
Tiered approaches for screening and prioritizing chemicals through integration of pharmacokinetics and exposure information with in vitro dose-response data
With the advent of high throughput (HT) methodologies to evaluate hazard and exposure concerns more rapidly and for a greater number of chemicals at a time, in vivo toxicity data is lacking for a large number of chemicals currently on market or in production.
NTP Research Report on Synthetic Turf/Recycled Tire Crumb Rubber: Feasibility Study in Support of Non-inhalation In Vivo Exposures of Synthetic Turf/Recycled Tire Crumb Rubber
Public health concern for playing on synthetic turf fields with crumb rubber infill has increased in recent years.
Physicochemical Parameters of Recently Approved Drugs
The growing importance of peptide drug within the pharmacopoeia has become evident over the past several decades.
In Silico Study of 8-substituted-7-Methoxy-2h-Chromen-2-One Compound As Inhibitor of Telomerase Enzyme
Adjustment of telomere length by telomerase is considered as a biological marker which determine the proliferation of cancer cells.
3D-Printed Wearable Personalized Orthodontic Retainers for Sustained Release of Clonidine Hydrochloride
Orthodontic retainers are wearable customizable medical devices for dental protection or alignment.
Pharmacodynamic Effects of Sulbactam/Meropenem/Polymyxin-B Combination Against Extremely Drug Resistant Acinetobacter baumannii Using Checkerboard Information
Aim: The aims of the study are to evaluate the activity of sulbactam, meropenem, and polymyxin B alone and in combination against six isolates of extremely drug resistant...
Complementary HPLC, in silico toxicity, and molecular docking studies for investigation of the potential influences of gastric acidity and nitrite content on paracetamol safety
This study was initiated for investigating the possible gastro-transformations that may affect the integrity and safety of the most commonly administered analgesic and antipyretic, paracetamol (PCM).
Bridging in vitro dissolution and in vivo exposure for acalabrutinib. Part I. Mechanistic modelling of drug product dissolution to derive a P-PSD for PBPK model input
Drug product dissolution for four batches of acalabrutinib 100 mg capsules were analyzed with in vitro dissolution in various pH conditions and in media containing synthetic surfactant micelles or biorelevant micelles.
Bridging in vitro dissolution and in vivo exposure for acalabrutinib. Part II. A mechanistic PBPK model for IR formulation comparison, proton pump inhibitor drug interactions, and administration with acidic juices
Acalabrutinib (Calquence®) 100 mg (bid) has received accelerated approval by FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides opportunities for the discovery and development of innovative drugs.
1-Methyl-1,2,3,4-tetrahydroisoquinoline – The toxicological research on an exo/endogenous amine with antidepressant-like activity – In vivo, in vitro and in silico studies
1-Methyl-1,2,3,4-tetrahydroisoquinoline (1MeTIQ) demonstrates significant neuroprotective activity.
A repository of protein abundance data of drug metabolizing enzymes and transporters for applications in physiologically based pharmacokinetic (PBPK) modelling and simulation
Population factors such as age, gender, ethnicity, genotype and disease state can cause inter-individual variability in pharmacokinetic (PK) profile of drugs.