11 Applications and molecular simulation strategies for excipient–excipient compatibility
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Md Aftab Alam
Abstract
Excipient-excipient compatibility is an important consideration in the development of pharmaceutical products. Excipients are the inactive ingredients that are added to a drug formulation to improve its physical properties, stability, and bioavailability. However, the compatibility of different excipients can affect the stability and efficacy of the final product. Molecular simulations can be a useful tool to predict the compatibility of different excipients and guide formulation development. Molecular dynamic (MD) simulations can be used to study the behavior of excipients at the molecular level. This approach can help predict the interactions between different excipients and identify potential compatibility issues. MD simulations can also be used to study the effect of different processing conditions on excipient compatibility. Monte Carlo simulations can be used to study the thermodynamic properties of excipient mixtures. This approach can help predict the phase behavior of different excipients and identify potential compatibility issues. Molecular simulations can be a powerful tool to predict the compatibility of different excipients and guide formulation development. By combining molecular simulations with experimental techniques, researchers can gain a comprehensive understanding of the behavior of excipients in pharmaceutical formulations.
Abstract
Excipient-excipient compatibility is an important consideration in the development of pharmaceutical products. Excipients are the inactive ingredients that are added to a drug formulation to improve its physical properties, stability, and bioavailability. However, the compatibility of different excipients can affect the stability and efficacy of the final product. Molecular simulations can be a useful tool to predict the compatibility of different excipients and guide formulation development. Molecular dynamic (MD) simulations can be used to study the behavior of excipients at the molecular level. This approach can help predict the interactions between different excipients and identify potential compatibility issues. MD simulations can also be used to study the effect of different processing conditions on excipient compatibility. Monte Carlo simulations can be used to study the thermodynamic properties of excipient mixtures. This approach can help predict the phase behavior of different excipients and identify potential compatibility issues. Molecular simulations can be a powerful tool to predict the compatibility of different excipients and guide formulation development. By combining molecular simulations with experimental techniques, researchers can gain a comprehensive understanding of the behavior of excipients in pharmaceutical formulations.
Chapters in this book
- Frontmatter I
- Contents V
- 1 Introduction to computer simulations in drug delivery: current strategies and future prospects 1
- 2 The role of multiscale approaches for the rational design of nanoparticulate drug delivery system: recent advances 19
- 3 The utilization of descriptors in convoluted Lipinski’s rule of five 39
- 4 Computer-aided pharmacokinetic functions for extravascular route for oral drug delivery system 71
- 5 Computational approaches to the prediction of the blood–brain distribution and design of targeted drugs 87
- 6 Computational methods in the pragmatic development of nanoemulsions, polymeric micelles, and dendrimers for drug delivery 113
- 7 Virtual screening of mucoadhesive polymers for the development of efficient drug delivery system: current approaches 127
- 8 QbD and artificial intelligence in nanoparticulate drug delivery systems: recent advances 163
- 9 Nanotoxicity prediction in nanotechnology-driven drugs using QSPR modeling 183
- 10 Molecular simulations strategies for designing 2D nanomaterials for drug delivery applications 221
- 11 Applications and molecular simulation strategies for excipient–excipient compatibility 247
- 12 Application of simulation system for selection of nanocarrier for biopharmaceutically challenging pharmaceuticals 269
- 13 Applications and challenges in molecular dynamic simulations in polymeric nanoparticle drug delivery systems 307
- 14 Role of principal component analysis in drug formulation and delivery 331
- 15 Computational approaches for predicting drug solubility and permeability in pharmaceutical formulation 347
- 16 Molecular simulations and process modeling of tableting technology: recent advances and future insights 369
- 17 Molecular simulation-based technology for antibody–drug conjugates for tumor targeting: current scenario and future insights 383
- Index 437
Chapters in this book
- Frontmatter I
- Contents V
- 1 Introduction to computer simulations in drug delivery: current strategies and future prospects 1
- 2 The role of multiscale approaches for the rational design of nanoparticulate drug delivery system: recent advances 19
- 3 The utilization of descriptors in convoluted Lipinski’s rule of five 39
- 4 Computer-aided pharmacokinetic functions for extravascular route for oral drug delivery system 71
- 5 Computational approaches to the prediction of the blood–brain distribution and design of targeted drugs 87
- 6 Computational methods in the pragmatic development of nanoemulsions, polymeric micelles, and dendrimers for drug delivery 113
- 7 Virtual screening of mucoadhesive polymers for the development of efficient drug delivery system: current approaches 127
- 8 QbD and artificial intelligence in nanoparticulate drug delivery systems: recent advances 163
- 9 Nanotoxicity prediction in nanotechnology-driven drugs using QSPR modeling 183
- 10 Molecular simulations strategies for designing 2D nanomaterials for drug delivery applications 221
- 11 Applications and molecular simulation strategies for excipient–excipient compatibility 247
- 12 Application of simulation system for selection of nanocarrier for biopharmaceutically challenging pharmaceuticals 269
- 13 Applications and challenges in molecular dynamic simulations in polymeric nanoparticle drug delivery systems 307
- 14 Role of principal component analysis in drug formulation and delivery 331
- 15 Computational approaches for predicting drug solubility and permeability in pharmaceutical formulation 347
- 16 Molecular simulations and process modeling of tableting technology: recent advances and future insights 369
- 17 Molecular simulation-based technology for antibody–drug conjugates for tumor targeting: current scenario and future insights 383
- Index 437
