Forced degradation studies to assess the stability of drugs and products
A forced degradation study is an essential step in the design of a regulatory compliant
stability program for both drug substances and products, and was formalized as a regulatory …
stability program for both drug substances and products, and was formalized as a regulatory …
Emerging landscape of computational modeling in pharmaceutical development
YA Abramov, G Sun, Q Zeng - Journal of Chemical Information …, 2022 - ACS Publications
Computational chemistry applications have become an integral part of the drug discovery
workflow over the past 35 years. However, computational modeling in support of drug …
workflow over the past 35 years. However, computational modeling in support of drug …
Predicting drug substances autoxidation
P Lienard, J Gavartin, G Boccardi, M Meunier - Pharmaceutical research, 2015 - Springer
Purpose Chemical degradation and stability in formulation is a recurrent issue in
pharmaceutical development of drugs. The objective of the present study was to develop an …
pharmaceutical development of drugs. The objective of the present study was to develop an …
Prediction of drug candidates' sensitivity toward autoxidation: computational estimation of CH dissociation energies of carbon-centered radicals
T Andersson, A Broo, E Evertsson - Journal of pharmaceutical sciences, 2014 - Elsevier
ABSTRACT A method to predict a compound's sensitivity toward autoxidation using bond
dissociation energies for hydrogen abstraction is described. The methodology is based on …
dissociation energies for hydrogen abstraction is described. The methodology is based on …
Kinetic Modeling of API Oxidation:(2) Imipramine Stress Testing
Gauging the chemical stability of active pharmaceutical ingredients (APIs) is critical at
various stages of pharmaceutical development to identify potential risks from drug …
various stages of pharmaceutical development to identify potential risks from drug …
Theoretical and experimental investigation of autoxidation propensity of selected drugs in solution state
The C–H bond dissociation energy (BDE) of drug molecules is often used to estimate their
relative propensities to undergo autoxidation. BDE calculations based on electronic …
relative propensities to undergo autoxidation. BDE calculations based on electronic …
Analytical methodologies for discovering and profiling degradation-related impurities
SW Baertschi - TrAC Trends in Analytical Chemistry, 2006 - Elsevier
The analytical technologies currently in use for profiling degradation-related impurities
(DRI's) are powerful, but not without their limitations. This article critically assesses the …
(DRI's) are powerful, but not without their limitations. This article critically assesses the …
Drug stability and degradation studies
Drug stability and degradation studies are integral parts of drug development.
Preformulation studies aim to evaluate the intrinsic stability properties of a drug candidate by …
Preformulation studies aim to evaluate the intrinsic stability properties of a drug candidate by …
In silico prediction of pharmaceutical degradation pathways: a benchmarking study
MH Kleinman, SW Baertschi, KM Alsante… - Molecular …, 2014 - ACS Publications
Zeneth is a new software application capable of predicting degradation products derived
from small molecule active pharmaceutical ingredients. This study was aimed at …
from small molecule active pharmaceutical ingredients. This study was aimed at …
Assessment of diverse solid− state accelerated autoxidation methods for droperidol
The present study aimed to investigate methods for accelerating autoxidation of crystalline
drugs in the solid-state that can potentially predict real− time stability. Solid droperidol (DPD) …
drugs in the solid-state that can potentially predict real− time stability. Solid droperidol (DPD) …