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

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., Forbes, B., Jaffari, S., Martin, G., Collins, E., & Pencheva, K. (2016, April). Blending Pre-formulation Metrics with Molecular Calculations to Facilitate Aerosol Product Formulation. Presented at Respiratory Drug Delivery

• Presentation Conference Type: Conference Paper (published)
• 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