Molecular simulations in drug delivery: Opportunities and challenges
RS Katiyar, PK Jha - Wiley Interdisciplinary Reviews …, 2018 - Wiley Online Library
Molecular simulations are promising tools for in silico design of drug delivery formulations,
as they provide a prediction of formulation properties prior to synthesis thus minimizing the …
as they provide a prediction of formulation properties prior to synthesis thus minimizing the …
[HTML][HTML] Role of crystal disorder and mechanoactivation in solid-state stability of pharmaceuticals
Common energy-intensive processes applied in oral solid dosage development, such as
milling, sieving, blending, compaction, etc. generate particles with surface and bulk crystal …
milling, sieving, blending, compaction, etc. generate particles with surface and bulk crystal …
Sustainable and efficient skin absorption behaviour of transdermal drug: The effect of the release kinetics of permeation enhancer
J Ruan, C Liu, H Song, T Zhong, P Quan… - International Journal of …, 2022 - Elsevier
At present, how the release kinetics of permeation enhancers affected their enhancement
efficacy on drug skin absorption and its molecular mechanisms remained unclear. Herein …
efficacy on drug skin absorption and its molecular mechanisms remained unclear. Herein …
Molecular dynamics simulation of amorphous indomethacin
TX Xiang, BD Anderson - Molecular pharmaceutics, 2013 - ACS Publications
Molecular dynamics (MD) simulations have been conducted using an assembly consisting
of 105 indomethacin (IMC) molecules and 12 water molecules to investigate the underlying …
of 105 indomethacin (IMC) molecules and 12 water molecules to investigate the underlying …
Effect of external and internal plasticization on the glass transition temperature of (Meth) acrylate polymers studied with molecular dynamics simulations and …
The differences between internal and external plasticization as well as how the molecular
structure of a plasticizer effects the glass transition temperature, T g, of a (meth) acrylate …
structure of a plasticizer effects the glass transition temperature, T g, of a (meth) acrylate …
Effect of temperature increase during the tableting of pharmaceutical materials
M Cespi, G Bonacucina, L Casettari, S Ronchi… - International journal of …, 2013 - Elsevier
Scale-up of tableting process is particularly difficult due to specific concerns related
exclusively to the process itself and that cannot be determined on a smaller scale, which are …
exclusively to the process itself and that cannot be determined on a smaller scale, which are …
Combining experimental and computational techniques to understand and improve dry powder inhalers
ABSTRACT Introduction Dry Powder Inhalers (DPIs) continue to be developed to deliver an
expanding range of drugs to treat an ever-increasing range of medical conditions; with each …
expanding range of drugs to treat an ever-increasing range of medical conditions; with each …
Chitosan-Coated MIL-100 (Fe) as an Anticancer Drug Carrier: Theoretical and Experimental Investigation
S Tohidi, M Aghaie-Khafri - ACS Medicinal Chemistry Letters, 2023 - ACS Publications
MIL-100 (Fe) was synthesized under biofriendly conditions at room temperature and
pressure using iron (II) chloride as the source of iron, and it was coated with chitosan (CS), a …
pressure using iron (II) chloride as the source of iron, and it was coated with chitosan (CS), a …
Humidity affects the morphology of particles emitted from beclomethasone dipropionate pressurized metered dose inhalers
The effects of propellant type, cosolvent content, and air humidity on the morphology and
solid phase of the particles produced from solution pressurized metered dose inhalers …
solid phase of the particles produced from solution pressurized metered dose inhalers …
Towards the bioequivalence of pressurised metered dose inhalers 1: design and characterisation of aerodynamically equivalent beclomethasone dipropionate …
A series of semi-empirical equations were utilised to design two solution based pressurised
metered dose inhaler (pMDI) formulations, with equivalent aerosol performance but different …
metered dose inhaler (pMDI) formulations, with equivalent aerosol performance but different …