The primary objective of this work was to characterize the pharmacokinetics (PK) of systemic clofarabine (clo-fara) in pediatric allogeneic hematopoietic cell transplantation (HCT) recipients
Selective Regulation of 5-HT1B Serotonin Receptor Expression in the Striatum by Dopamine Depletion and Repeated L-DOPA Treatment: Relationship to L-DOPA-Induced Dyskinesias
Dopamine and serotonin in the basal ganglia interact in a bidirectional manner. On the one hand, serotonin (5-HT) receptors regulate the effects of dopamine agonists on...
Computer-Aided Drug Design of DNA Repair Inhibitors Targeting the ERCC1-XPF Endonuclease
Computational methods are nowadays essential tools employed in the field of drug design.
Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24
The impact of Ebola virus disease (EVD) is devastating with concomitant high fatalities.
New approach to regression uncertainty analysis and applications to drug design
When can you trust a decision/prediction from a machine learning model?
The ADME profile of the fungicide tricyclazole in rodent via the oral route: A critical review for human health safety assessment
Herein, we publish data from regulatory studies investigating the oral ADME (absorption, distribution, metabolism, excretion) of tricyclazole in vivo, in silico and in vitro.
Estimation of nizatidine gastric nitrosatability and product toxicity via an integrated approach combining HILIC, in silico toxicology, and molecular docking
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.
GAP Flyer
Synchronize discovery and development ADME
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.
Physiologically Based Pharmacokinetic Modeling of Rosuvastatin and Prediction of Transporter-Mediated Drug-Drug Interactions Involving Rifampicin
Statins have been extensively used worldwide for the treatment of cardiovascular diseases.
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.
Development of a Physiologically Based Pharmacokinetic Model for Losartan and Its Active Metabolite E3174 – Ethnic Differences in Pharmacokinetics between Caucasian and Asian Populations
Losartan is a selective, competitive angiotensin II receptor type 1 (AT1) antagonist for hypertension treatment.
Physicochemical Parameters of Recently Approved Drugs
The growing importance of peptide drug within the pharmacopoeia has become evident over the past several decades.