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Blending Pre-formulation Metrics with Molecular Calculations to Facilitate Aerosol Product Formulation

Murnane, D; Ramachandran, V; Hammond, RB; Pickering, J; Roberts, KJ; Soufian, M; Forbes, B; Jaffari, S; Martin, GP; Collins, E; Pencheva, K

Authors

D Murnane

V Ramachandran

RB Hammond

J Pickering

KJ Roberts

M Soufian

B Forbes

S Jaffari

GP Martin

E Collins

K Pencheva



Abstract

In silico modeling using synthonic engineering provides a powerful tool to assist quality by design (QbD) strategies by facilitating the study of molecular forces of interaction between formulation components such as carrier particles and active pharmaceutical ingredients (APIs) in inhalation products. This article reports the outcomes of an inter-disciplinary study that combined computational molecular modeling and the measurement of interparticulate forces and rapid formulation pre-screening with the aim of achieving a priori formulation design and rapid verification through a material testing approach.

Citation

Murnane, D., Ramachandran, V., Hammond, R., Pickering, J., Roberts, K., Soufian, M., …Pencheva, K. (2016). Blending Pre-formulation Metrics with Molecular Calculations to Facilitate Aerosol Product Formulation. In Respiratory Drug Delivery (79-88)

Conference Name Respiratory Drug Delivery
Start Date Apr 17, 2016
End Date Apr 21, 2016
Acceptance Date Feb 15, 2016
Publication Date 2016-05
Deposit Date May 8, 2017
Pages 79-88
Book Title Respiratory Drug Delivery
Keywords silico modeling, synthonic engineering, quality by design (QbD), omputational molecular modeling,
Public URL http://researchrepository.napier.ac.uk/Output/836551
Publisher URL http://www.rddonline.com/publications/articles/article.php?ArticleID=2144&return=1