Amorphous solid dispersions (ASDs) can increase the bioavailability of drugs with poor aqueous solubility.
Profiling the antidepressant properties of phenyl piperidine derivatives as inhibitors of serotonin transporter (SERT) via cheminformatics modeling, molecular docking and ADMET predictions
The inhibition of serotonin transporter (SERT) has been considered to be a good target for the treatment of mood disorders (depression).
Predicting the effect of prandial stage and particle size on absorption of ODM-204
The prediction of absorption properties plays a key role in formulation development when the compound under development shows poor solubility...
Tyrosol 1,2,3-triazole analogues as new acetylcholinesterase (AChE) inhibitors
The present work proposed the preparation of triazolic analogues of tyrosol, a biophenol found in olive oil and whose wide range of bioactivities...
IMI – Oral biopharmaceutics tools project – Evaluation of bottom-up PBPK prediction success part 4: Prediction accuracy and software comparisons with improved data and modelling strategies
Oral drug absorption is a complex process depending on many factors, including the physicochemical properties of the drug, formulation...
Morphological transition of M. tuberculosis and modulation of intestinal permeation by food grade cationic nanoemulsion: In vitro-ex vivo-in silico GastroPlus studies
The study aimed to investigate rifampicin (RIF) loaded cationic nanoemulsion (NE) for increased efficacy, facilitated intestinal...
GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics
Predicting the structures of metabolites formed in humans can provide advantageous insights for the development of drugs and other compounds.
In Silico studies of novel Sildenafil self-emulsifying drug delivery system absorption improvement for pulmonary arterial hypertension
Sildenafil is a potent selective inhibitor of phosphosdiesterase-5 previously used in erectile dysfunction and subsequently approved in 2005 for pulmonary...
Using a Physiologically Based Pharmacokinetic Absorption Model to Establish Dissolution Bioequivalence Safe Space for Oseltamivir in Adult and Pediatric Populations
Bioequivalence (BE) studies support the approval and clinical use of both new drug and generic drug products.
Current status and future opportunities for incorporation of dissolution data in PBPK modeling for pharmaceutical development and regulatory applications: OrBiTo consortium commentary
In vitro dissolution experiments are used to qualitatively assess the impact of formulation composition and process changes on the drug dosage form performance.
In silico Methods for Drug Design and Discovery
Computer-aided drug design (CADD) methodologies are playing an ever-increasing role in drug discovery that are critical in the cost-effective...
Identification and characterization of novel metabolites of nintedanib by ultra‐performance liquid chromatography/quadrupole time‐of‐flight tandem mass spectrometry with in silico toxicological assessment
Nintedanib, an oral, triple angiokinase inhibitor, is used alongside docetaxel in the management of locally recurrent non‐small‐cell lung cancer...
Forced degradation studies of medroxyprogesterone acetate injectable suspensions (150 mg/ml) with implementation of HPLC, mass spectrometry, and QSAR techniques
Medroxyprogesterone acetate (MPA) injectable products are a key commodity for reproductive health and are available in the global...
Decomposition profile data analysis of multiple drug effects identifies endoplasmic reticulum stress-inducing ability as an unrecognized factor
Chemicals have multiple effects in biological systems.
Chemical space and diversity of seaweed metabolite database (SWMD): A cheminformatics study
Seaweeds have attracted attention in the past decade as a biological source of highly diverse secondary metabolites with great potential in the...
Exploring QSAR models for assessment of acute fish toxicity of environmental transformation products of pesticides (ETPPs)
Environmental transformation products of pesticides (ETPPs) have a great deal of ecological impact owing to their ability to cause toxicity to the...
Fatty acid profile and in silico pharmacological study of diatom Amphora sp
Amphora sp. is a type of potential microalgae that has a considerably high content of lipid.
Effect of Fremanezumab Monthly and Quarterly Doses on Efficacy Responses
Exposure-response (E-R) models were developed to provide a description of the time-course of treatment effect for monthly and quarterly dosing regimens of...
Effect of the structural factors of organic compounds on the acute toxicity toward Daphnia magna
The acute toxicity of organic compounds towards Daphina magna was subjected to QSAR analysis.
Molecular engineering of safe and efficacious oral basal insulin
Recently, the clinical proof of concept for the first ultra-long oral insulin was reported, showing efficacy and safety similar to subcutaneously administered insulin glargine. Here, we report the molecular engineering as well as biological and pharmacological properties of these insulin analogues.