CADD Final

A seminar on
COMPUTERS IN PHARMACEUTICAL FORMULATION:

DEVELOPMENT OF PHARMACEUTICAL EMULSIONS,
MICROEMULSION DRUG CARRIERS
Presented by
Sukanya Patil
(M Pharm sem II )
Under the guidance of

Dr. Geeta Bhagwat
Department of Pharmaceutics
H. K. College of Pharmacy
INTRODUCTION
• This chapter introduces the concept of formulation development assisted by computer

applications. Due to their complex composition, preparation and stability issues of
emulsions were selected to showcase various computer-aided tools in pharmaceutical
formulation development. Successful development of an emulsion formulation is
dependent on both formulation ingredients and processing parameters, which is
especially significant for more complex formulation types, such as self-emulsifying
systems or double emulsions. The examples provided illustrate techniques used to define
a design space, select the appropriate formulation ingredient, and optimize the
formulation composition as well as process parameters, according to the quality-by-design
(QbD) concept. Importantly, methods that allow simultaneous optimization of multiple
factors are also presented.
APPLICATION OF COMPUTER-AIDED TECHNIQUES IN DEVELOPMENT OF
PHARMACEUTICAL EMULSIONS
• Emulsions are disperse systems made of two immiscible liquids. One liquid is dispersed into the other,
in the presence of surface active agents, such as emulsifier(s). The two immiscible liquids are usually
oil and water, and the main types of simple emulsions are oil-in-water (o/w) or water-in-oil (w/o). In
the pharmacy, emulsions have a great potential as vehicles for active ingredients for different routes of
administration (topical, parenteral, oral). However, emulsions are thermodynamically unstable
systems, and different phenomena during storage could occur, including gravitational separation
(creaming/sedimentation), flocculation, coalescence, Ostwald ripening, and phase inversion.
• Stability and properties of emulsions are influenced by different factors. Formulation and process
optimization techniques would be useful for finding the ideal emulsion formulation. The main
parameters relating to the stability, effectiveness, and safety of the pharmaceutical emulsion should be
optimized simultaneously.
APPLICATION OF COMPUTER-AIDED TECHNIQUES IN DEVELOPMENT OF
MICROEMULSION DRUG CARRIERS
• Microemulsions are thermodynamically stable and optically isotropic transparent colloidal systems consisting of
water, oil, and surfactant. Although they are clear, low viscous liquids, the different types of microstructures are
identified (i.e. w/o, o/w, and bicontinuous), all organized on the level below 100 nm. The microstructure of
microemulsions is determined by physicochemical properties and concentrations of the constituents. Such
unique systems, as well as their water-free preconcentrates, so-called self-microemulsifying oil/surfactant
mixtures, are of increasing interest as potential drug delivery vehicles with long-t erm stability, considerable
capacity for drug solubilization, and great potential for bioavailability enhancement (Fanun, 2009). Development
of such carriers requires a complex strategy balancing all relevant aspects. In systems consisting of water, oil, and
tenside(s), a diverse range of colloidal systems and coarse dispersions may form (e.g. emulsions, microemulsions,
micelles, lyotropic liquid crystals), depending on physicochemical properties and quantitative ratios of
constituents and temperature. Microemulsions and self-microemulsifying drug delivery systems (SMEDDS) form
only in well balanced mixtures of the selected excipients and within the specific concentration ranges of the
constituents at given temperatures and pressures (i.e. the microemulsion area). The analysis of the influence of
formulation variables on the area of microemulsion systems is usually performed within the phase behavior
CONCLUSION
• A nonlinear mathematical approach comprising experimental design, neural networks,

GAs, and/or neuro-fuzzy logic represents a promising tool for in silico modeling of
formulation procedures in development of emulsion and (micro)emulsion drug carriers.
Although in silico formulation is not a substitute for laboratory experiments, the results of
current efforts clearly demonstrated a potential to shorten the time necessary to find
optimal quantitative and qualitative composition. Also, this strategy is capable of
generating new potential (micro)emulsion forming systems. The upcoming step would be
application of such methodology as a tool to correlate composition/structure
characteristics with the biopharmaceutical profiles of (micro)emulsion drug delivery
systems, which is encouraging for their future development.
REFERENCES
• Aboofazeli, R., Lawrence, C.B., Wicks, S.R., Lawrence, M.J. Investigations into the formation and
characterization of phospholipid microemulsions. III: Pseudo-ternary phase diagrams of systems
containing water-lecithin-isopropyl myristate and either an alkanoic acid, amine, alkanediol,
polyethylene glycol alkyl ether or alcohol as cosurfactant. Int. J. Pharm.. 1994; 111:63–72.
• Agatonovic-Kustrin, S., Alany, R.G. Role of genetic algorithms and artificial neural networks in
predicting the phase behavior of colloidal delivery systems. Pharm. Res.. 2001; 18(7):1049–1055.
• Agatonovic-Kustrin, S., Glass, B.D., Wisch, M.H., Alany, R.G. Prediction of stable microemulsion
formulation for the oral delivery of a combination of anti-tubercular drugs using ANN
methodology. Pharm. Res.. 2003; 20:1760–1764.
• Alany, R.G., Agatonovic-Kustrin, S., Rades, T., Tucker, I.G. Use of artificial neural networks to predict
quaternery phase systems from limited experimental data. J. Pharm. Biomed.. 1999; 19:443–452.
• Alany, R.G., El Maghraby, G.M.M., Krauel-Goellner, K., Graf, A. Microemulsion systems and their
potential as drug carriers. In: Fanun M., ed. Microemulsions: Properties and Applications. Boca Raton, FL:
REFERENCES
• Djekic, L., Ibric, S., Primorac, M. Application of artificial neural networks (ANNs) in development of pharmaceutical
microemulsions. In: Flores J.A., ed. Focus on Artificial Neural Networks. New York: Nova Science Publishers; 2011:1–28.
• Fanun, M. Biocompatible microemulsions. In: Fanun M., ed. Colloids in Biotechnology. Boca Raton, FL: CRC Press, Taylor & Francis
Group; 2011:417–436.
• Fanun M., ed. Microemulsions: Properties and Applications. Boca Raton, FL: CRC Press, Taylor & Francis Group, 2009.
• Friberg, S.E., Aikens, P.A. A phase diagram approach to microemulsions. In: Fanun M., ed. Microemulsions: Properties and
Applications. Boca Raton, FL: CRC Press, Taylor & Francis Group; 2009:1–15.
• Gašperlin, M., Tušar, L., Tušar, M., Kristl, J., Šmid-Korbar, J. Lipophilic semisolid emulsion systems: viscoelastic behaviour and
prediction of physical stability by neural network modeling. Int. J. Pharm.. 1998; 168:243–254.
• Gašperlin, M., Tušar, L., Tušar, M., Šmid-Korbar, J., Zupan, J., Kristl, J. Viscosity prediction of lipophilic semisolid emulsion systems
by neural network modelling. Int. J. Pharm.. 2000; 196:37–50.
• Kumar, K.J., Panpalia, G.M., Priyadarshini, S. Application of artificial neural networks in optimizing the fatty alcohol concentration
in the formulation of an o/w emulsion. Acta Pharm.. 2011; 61:249–256.

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A seminar on

COMPUTERS IN PHARMACEUTICAL FORMULATION:

Under the guidance of

• This chapter introduces the concept of formulation development assisted by computer

• A nonlinear mathematical approach comprising experimental design, neural networks,

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