Google Scholar | Citations: 16429| h-index: 32 | i10-index: 482
In silico study of the pharmacological properties of curcumin: therapeutic potential, molecular targets, and pharmacokinetic and pharmacodynamic profile
PDF (Portuguese (Brazil))

Keywords

Curcuma longa
Curcumin
Pharmacokinetics
Pharmacodynamics
Therapeutic properties

How to Cite

In silico study of the pharmacological properties of curcumin: therapeutic potential, molecular targets, and pharmacokinetic and pharmacodynamic profile. (2026). Electronic Journal Collection Health, 26(2), e22614. https://doi.org/10.25248/reas.e22614.2026

Copyright © | All rights reserved.

The journal holds the exclusive copyright for the publication of this article under the terms of Brazilian law 9610/98.

Partial reproduction
The use of parts of the texts, figures and questionnaire of the article is free, being mandatory the citation of the authors and journal.

Total reproduction
It is expressly prohibited and must be authorized by the journal.

Abstract

Objective: To perform an in silico analysis of the pharmacokinetic and pharmacodynamic properties of curcumin using the SwissADME and Swiss Target Prediction platforms, focusing on its oral bioavailability, enzymatic interactions, and potential molecular targets. Methods: An in silico analysis was conducted using the SwissADME and Swiss Target Prediction platforms to evaluate the pharmacokinetic and pharmacodynamic properties of curcumin. Results: The results showed adequate oral bioavailability, high gastrointestinal absorption, but low permeability across the blood-brain and skin barriers. In addition, curcumin was identified as an inhibitor of the CYP2C9 and CYP3A4 enzymes, the main cytochrome P450 isoforms responsible for metabolizing several marketed drugs, which implies possible drug interactions. Pharmacodynamic analysis revealed interactions with 100 protein targets, with 12 showing maximum affinity scores (score = 10). Among them, COX-1, Nrf2, carbonic anhydrase II, and EGFR stood out. The most representative functional classes were lyases (46.7%), oxidoreductases, and kinases (13.3% each), indicating a multifaceted action on inflammatory, oxidative, and cell proliferation pathways. Conclusion: It is concluded that curcumin is promising for the development of new drugs. However, additional clinical studies are needed to consolidate its applicability in human therapeutic protocols.

PDF (Portuguese (Brazil))

References

ALSULAIM AK, et al. Therapeutic potential of curcumin, a bioactive compound of turmeric, in prevention of streptozotocin-induced diabetes through the modulation of oxidative stress and inflammation. Molecules, 2023; 29(1): 128.

BARBARA R, et al. Novel curcumin loaded nanoparticles engineered for blood-brain barrier crossing and able to disrupt Abeta aggregates. International Journal of Pharmaceutics, 2017; 526(1-2): 413-424.

CASTAÑO PR, et al. Bioactivity of curcumin on the cytochrome P450 enzymes of the steroidogenic pathway. International Journal of Molecular Sciences, 2019; 20(18): 4606.

CASTILHOS PF, et al. Prevalência e fatores associados à utilização de plantas medicinais e fitoterapia no Brasil. Revista Fitos, 2023; 17(3): 400-410.

CHEN X, et al. Curcumin as a modulator of drug metabolism and gene expression: implications for drug–drug interactions. Frontiers in Pharmacology, 2025.

CHEN Y, et al. Curcumin as a modulator of drug metabolism and gene expression: Implications for pharmacogenomics. Biomedicine & Pharmacotherapy, 2025; 180: 116631.

CUI J, et al. Research progress on the mechanism of curcumin anti-oxidative stress based on signaling pathway. Frontiers in Pharmacology, 2025; 16: 1548073.

DAINA A, et al. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific Reports, 2017; 7(1): 1-13.

DAINA A, et al. SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules. Nucleic Acids Research, 2019; 47(1): 357-364.

KUNNUMAKKARA AB, et al. Curcumin inhibits proliferation, invasion, angiogenesis and metastasis of different cancers through interaction with multiple cell signaling proteins. Cancer Letters, 2008; 269(2): 199-225.

LIPINSKI CA. Lead-and drug-like compounds: the rule-of-five revolution. Drug Discovery Today: Technologies, 2004; 1(4): 337-341.

MADDEN JC, et al. A review of in silico tools as alternatives to animal testing: principles, resources and applications. Alternatives to Laboratory Animals, 2020; 48(4): 146-172.

MENG ZW, et al. Use of curcumin and its nanopreparations in the treatment of inflammatory bowel disease. World Journal of Gastroenterology, 2024; 30(3): 280-282.

MONTEIRO NETO V, et al. Cuminaldehyde potentiates the antimicrobial actions of ciprofloxacin against Staphylococcus aureus and Escherichia coli. PLOS One, 2020; 15(5): 232987.

MORTON DB. A model framework for the estimation of animal ‘suffering’: its use in predicting and retrospectively assessing the impact of experiments on animals. Animals, 2023; 13(5): 800.

PANKNIN TM, et al. Curcumin supplementation and human disease: a scoping review of clinical trials. International Journal of Molecular Sciences, 2023; 24(5): 4476.

PRASAD S E AGGARWAL BB. Cúrcuma, a especiaria dourada: da medicina tradicional à medicina moderna. In: BENZIE IFF, WACHTEL-GALOR S, editores. Fitoterapia: aspectos biomoleculares e clínicos. Boca Raton: CRC Press/Taylor & Francis, 2011; 2: 13.

RÓŻAŃSKI G, et al. Meta-analysis of exploring the effect of curcumin supplementation with or without other advice on biochemical and anthropometric parameters in patients with metabolic-associated fatty liver disease. International Journal of Environmental Research and Public Health, 2023; 20: 4266.

RUTZ J, et al. Curcumin: a viable agent for better bladder cancer treatment. International Journal of Molecular Sciences, 2020; 21(11): 3761.

SILVA E de O., et al. Effect of curcumin on acute chronic kidney disease due to ischemia-reperfusion syndrome. Revista da Escola de Enfermagem da USP, 2022; 56: 20210440.

SILVESTRE F, et al. Pharmacokinetics of Curcumin Delivered by Nanoparticles and the Relationship with Antitumor Efficacy: A Systematic Review. Pharmaceuticals, 2023; 16(7): 943.

TRONCON LE. Novas drogas no tratamento da dispepsia funcional. Arq Gastroenterol, 2001; 38(3): 207-212.

XU Q, et al. Curcumin and multiple health outcomes: critical umbrella review of intervention meta-analyses. Frontiers in Pharmacology, 2025; 16: 1601204.

YANG C, et al. Review of the protective mechanism of curcumin on cardiovascular disease. Drug Design, Development and Therapy, 2024; 18: 165-192.

ZENG L, et al. Curcumin and Curcuma longa extract in the treatment of 10 types of autoimmune diseases: a systematic review and meta-analysis of 31 randomized controlled trials. Frontiers in Immunology, 2022; 13: 896476.

ZENG L, et al. Efficacy and safety of curcumin and Curcuma longa extract in the treatment of arthritis: a systematic review and meta-analysis of randomized controlled trials. Frontiers in Immunology, 2022; 13: 891822.

ZHAO M, et al. Cytochrome P450 enzymes and drug metabolism in humans. International Journal of Molecular Sciences, 2021; 22(23): 12808.