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Computer-Aided Biopharmaceutical Characterization: Gastrointestinal Absorption Simulation and In Silico Computational Modeling

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Computer Aided Pharmaceutics and Drug Delivery

Abstract

Biopharmaceutical characterization of drugs is the most important fundamental part of their development and discovery process. This plays a pivotal role in formulating an efficient dosage form with appropriate bioavailability. Absorption of drugs is a multifaceted process affected by several factors including the physicochemical properties of the drug and the pharmaco-technical parameters of the formulation. Several drugs during their development stages fail due to poor biopharmaceutical properties. Thus to decrease the cost and time involved in the drug discovery process and to develop more effective dosage regimens, computer-aided in silico absorption models are required for better characterization of biopharmaceutical properties. One of the major objectives of in silico absorption models is to envisage the drug’s physicochemical properties virtually. Computer simulations can be applied to predict the oral absorption of virtual compounds and thus offer the potential to screen the molecules under development that is having a prerequisite absorption profile. The present chapter deals with basics and recent advances along with applications and limitations of commonly used in silico and computational models for biopharmaceutical characterization particularly the ACAT model-based GastroPlus™ software package.

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Authors and Affiliations

  1. Department of Pharmacy, Panipat Institute of Engineering and Technology, Panipat, Haryana, India

    Daisy Arora

  2. Department of Pharmaceutics, Adarsh Vijendra Institute of Pharmaceutical Sciences, Shobhit University, Gangoh, Uttar Pradesh, India

    Bharat Khurana

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  1. Daisy Arora
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  2. Bharat Khurana
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Editors and Affiliations

  1. Department of Pharmaceutics, School of Pharmaceutical Sciences and Technology, Sardar Bhagwan Singh University, Dehradun, Uttarakhand, India

    Vikas Anand Saharan

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Arora, D., Khurana, B. (2022). Computer-Aided Biopharmaceutical Characterization: Gastrointestinal Absorption Simulation and In Silico Computational Modeling. In: Saharan, V.A. (eds) Computer Aided Pharmaceutics and Drug Delivery. Springer, Singapore. https://doi.org/10.1007/978-981-16-5180-9_7

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