Currently it is difficult to prospectively estimate human toxicokinetics (particularly for novel chemicals) in a high-throughput manner.
Computational Approaches in Drug Designing and Their Applications
Computational approaches have tremendous potential to speed up the process of drug discovery.
Predicted effect of ticagrelor on the pharmacokinetics of dabigatran etexilate using physiologically based pharmacokinetic modeling
Dabigatran etexilate (DABE) is a direct oral anticoagulant (DOAC) and may be combined with ticagrelor, a P2Y12 inhibitor...
In Vitro and In Vivo Efficacy of AZD3965 and Alpha-Cyano-4-Hydroxycinnamic Acid in the Murine 4T1 Breast Tumor Model
Monocarboxylate transporter 1 (MCT1) represents a potential therapeutic target in cancer.
Quantitative structure–activity relationships of xanthen-3-one and xanthen-1,8-dione derivatives and design of new compounds with enhanced antiproliferative activity on HeLa cervical cancer cells
Xanthene derivatives have become a group of molecules of great importance in discovering of new anticancer drugs.
A Baseline Analysis of Regulatory Review Timelines for ANVISA: 2013-2016
Background: The Brazilian health regulatory agency (Agência Nacional de Vigilância Sanitária, ANVISA) has embarked on transformational initiatives to fulfill its mandate to...
Biological Activity of Halogen-Containing Derivatives of N-Substituted Quinone Imines
The different halogen-containing derivatives of N-substituted quinone imines have been synthesized by the halogenation and...
The GastroPlus® Additional Dosage Routes Seminar Series Ocular with Maxime Le Merdy
The Ocular Compartmental Absorption & Transit (OCAT™) model represents the eye as a collection of the following compartments...
Vesicular elastic liposomes for transdermal delivery of rifampicin: In-vitro, in-vivo and in silico GastroPlus™ prediction studies
This study investigated enhanced bioavailability and sustained delivery of transdermally delivered rifampicin (RIF) in elastic liposomes...
Cerebrospinal fluid penetration of targeted therapeutics in pediatric brain tumor patients
Treatment with small-molecule inhibitors, guided by precision medicine has improved patient outcomes in multiple cancer types.
The GastroPlus® Additional Dosage Routes Seminar Series IM with Viera Lukacova
The intramuscular (IM) drug delivery model represents the site of injection as a single compartment. Within this compartment...
The GastroPlus® Additional Dosage Routes Seminar Series Transdermal with Jessica Spires
The Transdermal Compartmental Absorption & Transit (TCAT™) model represents the skin as a collection...
The GastroPlus® Additional Dosage Routes Seminar Series Pulmonary with John DiBella and Jim Mullin
The Pulmonary Compartmental Absorption & Transit (PCAT™) model represents the lung/nose as a collection of the following...
Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT database
It is of interest to design and develop efficient inhibitors to the TNIK protein target in Wnt signaling pathways...
June 2020 News/Events
STARTING NEXT WEEK! Featured Seminar Series: GastroPlus® Additional Dosage Routes
Intrinsic Dissolution Rate Profiling of Poorly Water-Soluble Compounds in Biorelevant Dissolution Media
The intrinsic dissolution rate (IDR) of active pharmaceutical ingredients (API) is a key property that aids in early drug development,
Simulations Plus Receives New Grant Award from the FDA
Novel PBPK/PD modeling strategies for ophthalmic drug products will inform regulatory decision-making
Discovery of 2-aryl and 2-pyridinylbenzothiazoles endowed with antimicrobial and aryl hydrocarbon receptor agonistic activities
Benzothiazole is a privileged scaffold in medicinal chemistry present in diverse bioactive compounds with multiple pharmacological applications such as,,,
Physiologically Based Absorption Modelling to Explore the Impact of Food and Gastric pH Changes on the Pharmacokinetics of Entrectinib
Entrectinib is a potent and selective tyrosine kinase inhibitor (TKI) of TRKA/B/C, ROS1, and ALK with both systemic...