Computational modeling for formulation design

Chetan Hasmukh Mehta, Reema Narayan, Usha Y. Nayak

Research output: Contribution to journalReview article

3 Citations (Scopus)

Abstract

Formulation design is an important phase in the drug development process. However, this process at an experimental level requires exhaustive experimental work. Excipient selection, prediction of solubility, encapsulation efficiency, release patterns, drug absorption, stability, and mechanism of nanoparticle formation are some of the essential steps in formulation design. The use of various computational tools, including quantitative structure–activity relationships (QSARs), molecular modeling, molecular mechanics, discrete element modeling, finite element method, computational fluid dynamics, and physiologically based pharmacokinetics (PBPK) modeling, help in the identification of drug product inadequacies and to recommend avenues for understanding complex formulation design in less time with lower investment. Here, we focus on computational modeling tools used in formulation design and its applications.

Original languageEnglish
Pages (from-to)781-788
Number of pages8
JournalDrug Discovery Today
Volume24
Issue number3
DOIs
Publication statusPublished - 01-03-2019

Fingerprint

Drug Stability
Excipients
Hydrodynamics
Mechanics
Pharmaceutical Preparations
Nanoparticles
Solubility
Pharmacokinetics

All Science Journal Classification (ASJC) codes

  • Pharmacology
  • Drug Discovery

Cite this

Mehta, Chetan Hasmukh ; Narayan, Reema ; Nayak, Usha Y. / Computational modeling for formulation design. In: Drug Discovery Today. 2019 ; Vol. 24, No. 3. pp. 781-788.
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Computational modeling for formulation design. / Mehta, Chetan Hasmukh; Narayan, Reema; Nayak, Usha Y.

In: Drug Discovery Today, Vol. 24, No. 3, 01.03.2019, p. 781-788.

Research output: Contribution to journalReview article

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