Computational ADME Modeling of Selected Terpenoids Using Swiss ADME

Terpenoids, a large and diverse class of naturally occurring organic compounds, have shown significant therapeutic potential, including antimicrobial, anticancer, and anti-inflammatory properties. However, the pharmacokinetic behavior of terpenoids, particularly their absorption, distribution, metabolism, and excretion (ADME) profiles, remains a critical factor in their drug development process. Computational ADME modeling has emerged as a powerful tool for earlystage screening of bioactive compounds, enabling the efficient prediction of pharmacokinetic properties and drug-likeness. This review focuses on the application of SwissADME, a widely used web-based platform, for evaluating the ADME characteristics of selected terpenoids. The tool offers various predictive modules including Lipinski's rule of five, bioavailability radar, gastrointestinal absorption, blood-brain barrier permeability, and cytochrome P450 interactions. By analyzing computational ADME data, this review highlights key pharmacokinetic attributes of terpenoids that influence their drug-likeness and therapeutic potential. Overall, the use of SwissADME in evaluating natural compounds streamlines the selection of promising terpenoid candidates for further experimental and clinical validation, thus accelerating natural product-based drug discovery.

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Journal
International Journal of Pharmaceutical Research and Applications
Published
2025-03-01
DOI
https://doi.org/10.35629/4494-100317041716
Primary Topic
Biological Activity of Diterpenoids and Biflavonoids
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article
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article

Computational ADME Modeling of Selected Terpenoids Using Swiss ADME

Rahul S. Adnaik, Pratibha R. Adnaik, Jyoti V. Mali Jyoti V. Mali
International Journal of Pharmaceutical Research and Applications
Biological Activity of Diterpenoids and Biflavonoids
article

Computational ADME Modeling of Selected Terpenoids Using Swiss ADME

Rahul S. Adnaik, Pratibha R. Adnaik, Jyoti V. Mali Jyoti V. Mali
article en

Abstract

Terpenoids, a large and diverse class of naturally occurring organic compounds, have shown significant therapeutic potential, including antimicrobial, anticancer, and anti-inflammatory properties. However, the pharmacokinetic behavior of terpenoids, particularly their absorption, distribution, metabolism, and excretion (ADME) profiles, remains a critical factor in their drug development process. Computational ADME modeling has emerged as a powerful tool for earlystage screening of bioactive compounds, enabling the efficient prediction of pharmacokinetic properties and drug-likeness. This review focuses on the application of SwissADME, a widely used web-based platform, for evaluating the ADME characteristics of selected terpenoids. The tool offers various predictive modules including Lipinski's rule of five, bioavailability radar, gastrointestinal absorption, blood-brain barrier permeability, and cytochrome P450 interactions. By analyzing computational ADME data, this review highlights key pharmacokinetic attributes of terpenoids that influence their drug-likeness and therapeutic potential. Overall, the use of SwissADME in evaluating natural compounds streamlines the selection of promising terpenoid candidates for further experimental and clinical validation, thus accelerating natural product-based drug discovery.

International Journal of Pharmaceutical Research and ApplicationsVol. 10(3)
Department of Earth Sciences (RU)
Openalex Percentile: Top 85%
Biological Activity of Diterpenoids and Biflavonoids
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Computational ADME Modeling of Selected Terpenoids Using Swiss ADME — Rahul S. Adnaik, Pratibha R. Adnaik, et al. · International Journal of Pharmaceutical Research and Applications (2025) | TGRS Research Map | TGRS