PBPK Modeling and In Silico Prediction for ADME and Drug-Drug Interaction

2015 ◽  
pp. 221-240 ◽  
Keyword(s):  
Drug Interaction ◽  
In Silico ◽  
Pbpk Modeling ◽  
In Silico Prediction ◽  
Drug Drug Interaction

scholarly journals In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9

2016 ◽  
Vol 17 (6) ◽  
pp. 914 ◽  
Author(s):  
Serena Nembri ◽  
Francesca Grisoni ◽  
Viviana Consonni ◽  
Roberto Todeschini
Keyword(s):  
Cytochrome P450 ◽  
Drug Interaction ◽  
In Silico ◽  
In Silico Prediction

scholarly journals COMEDICATION OF RABEPRAZOLE SODIUM CAUSES POTENTIAL DRUG-DRUG INTERACTION WITH DIABETIC DRUG LINAGLIPTIN: In-vitro AND In-silico APPROACHES

2021 ◽  
Vol 9 (4) ◽  
pp. 528-542
Author(s):  
Md. Jamal Hossain ◽  
◽  
Md. Shamiul Islam ◽  
Saimon Shahriar ◽  
Sherejad Sanam ◽  
...  
Keyword(s):  
Drug Interaction ◽  
Melting Point ◽  
In Silico ◽  
Synchronous Fluorescence ◽  
Current Evidence ◽  
Diabetic Patients ◽  
Potential Drug ◽  
Rabeprazole Sodium ◽  
Drug Drug Interaction

Drug-drug interaction is a notable concern among physicians when prescribing multi-therapy to the patients as concomitant administration of multi-drugs might cause unexpected adverse drug reactions. The main objective of this research is to predict a potential drug-drug interaction between two frequently used drugs by diabetic patients, an antidiabetic drug (linagliptin) and a proton pump inhibitor (rabeprazole sodium). Here, several in vitro techniques, including thermal (melting point, thermogravimetric analysis [TGA]), morphological (scanning electron microscopy [SEM] and X-ray powder diffraction [XRPD] analysis), highly sophisticated synchronous fluorescence, and in silico methods were applied to anticipate the potential drug-drug interaction between these stated drugs quickly. The melting point and TGA study revealed thermochemical properties, thermal stability profiles, and degradation patterns upon temperature rising of the formed complex and these precursor drugs. The SEM and XRPD have provided the morphological changes like particle shape and size distribution of the desired molecule that might be caused due to the potential drug-drug interactions. Besides, the drastic reduction of the quenching rate constant of linagliptin during interaction with bovine serum albumin in synchronous fluorescence also endorsed the potential drug-drug interaction. Furthermore, the drug-receptor docking analysis demonstrated that the binding affinity of the precursor ligands might be reduced due to the predicted drug-drug interaction. However, the current evidence warrants extensive investigation to confirm the above-stated potential drug-drug interaction in the larger animal model. Finally, clinical data need to be closely monitored during the treatment of diabetic patients prescribed with linagliptin and rabeprazole sodium.

scholarly journals A Novel PBPK Modeling Approach to Assess Cytochrome P450 Mediated Drug-Drug Interaction Potential of the Cytotoxic Prodrug Evofosfamide

2018 ◽  
Vol 7 (12) ◽  
pp. 829-837 ◽  
Author(s):  
Christian Lüpfert ◽  
Martin Dyroff ◽  
Oliver von Richter ◽  
Dieter Gallemann ◽  
Samer El Bawab ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Drug Interaction ◽  
Interaction Potential ◽  
Pbpk Modeling ◽  
Modeling Approach ◽  
Drug Drug Interaction

Cyclosporine Inhibition of Hepatic and Intestinal CYP3A4, Uptake and Efflux Transporters: Application of PBPK Modeling in the Assessment of Drug-Drug Interaction Potential

2012 ◽  
Vol 30 (3) ◽  
pp. 761-780 ◽  
Author(s):  
Michael Gertz ◽  
Catherine M. Cartwright ◽  
Michael J. Hobbs ◽  
Kathryn E. Kenworthy ◽  
Malcolm Rowland ◽  
...  
Keyword(s):  
Drug Interaction ◽  
Interaction Potential ◽  
Pbpk Modeling ◽  
Efflux Transporters ◽  
Drug Drug Interaction
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