E-ISSN 2231-3206 | ISSN 2320-4672
 

Original Research
Online Published: 13 Jun 2023
 


Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata

Shanmugapriyan Sivaraman, Subash Kolukuluri Rajendran.


Abstract
Background: Pluchea lanceolata belongs to the genus Pluchea (family: Asteraceae). The medicinal herb has been used for various ailments to prevent joint swelling in arthritic disorders, rheumatism, and other neurological-inflammatory disorders. Pluchine, which in our review was found to be a compound from P. Lanceolata, is explored for possible pharmacokinetic and toxicological properties by in silico computational predictive tools.

Aims and Objectives: The aim of the study is to profile the pharmacokinetic, toxicological, and drug likeness scores of pluchine’s active principle using computational analysis and prediction tools.

Materials and Methods: The authenticated and validated chemical structure of pluchine with its chemical formula will be extracted from standard web-based tools PubChem and ChemSpider. The two-dimensional to three-dimensional (3D) structure conversion will be processed with ChemSketchonline software; the 3D structure output will be processed further to be screened for molecular and pharmacokinetic properties for absorption, distribution, metabolism, and elimination, followed by toxicity profiling through AdmetSAR software.

Results: Pluchine active principle from P. lanceolata had a predictive pharmacokinetic profile of human intestinal absorption of <30%, Human skin permeability coefficients (log k p) of pluchine were −6.75 cm/s, and the blood–brain barrier were predicted to be positive with a probability score of 0.65. Drug likeness lipinskiscore is positive with -0- violations. Acute oral toxicity testing for pluchine predicts it to be placed in category III with LD50 values >500 mg/kg but <5000 mg/kg.

Conclusion: The pluchineactive principle from P. lanceolata is predicted to have a favorable pharmacokinetic and drug-like property profile for lead compound development.

Key words: Pluchine; Pluchea lanceolata; Pharmacokinetics; Toxicology; Bioinformatics


 
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How to Cite this Article
Pubmed Style

Sivaraman S, Rajendran SK. Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata. Natl J Physiol Pharm Pharmacol. 2024; 14(1): 6-9. doi:10.5455/njppp.2023.13.01034202331052023


Web Style

Sivaraman S, Rajendran SK. Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata. https://www.njppp.com/?mno=140875 [Access: November 01, 2024]. doi:10.5455/njppp.2023.13.01034202331052023


AMA (American Medical Association) Style

Sivaraman S, Rajendran SK. Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata. Natl J Physiol Pharm Pharmacol. 2024; 14(1): 6-9. doi:10.5455/njppp.2023.13.01034202331052023



Vancouver/ICMJE Style

Sivaraman S, Rajendran SK. Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata. Natl J Physiol Pharm Pharmacol. (2024), [cited November 01, 2024]; 14(1): 6-9. doi:10.5455/njppp.2023.13.01034202331052023



Harvard Style

Sivaraman, S. & Rajendran, . S. K. (2024) Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata. Natl J Physiol Pharm Pharmacol, 14 (1), 6-9. doi:10.5455/njppp.2023.13.01034202331052023



Turabian Style

Sivaraman, Shanmugapriyan, and Subash Kolukuluri Rajendran. 2024. Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata. National Journal of Physiology, Pharmacy and Pharmacology, 14 (1), 6-9. doi:10.5455/njppp.2023.13.01034202331052023



Chicago Style

Sivaraman, Shanmugapriyan, and Subash Kolukuluri Rajendran. "Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata." National Journal of Physiology, Pharmacy and Pharmacology 14 (2024), 6-9. doi:10.5455/njppp.2023.13.01034202331052023



MLA (The Modern Language Association) Style

Sivaraman, Shanmugapriyan, and Subash Kolukuluri Rajendran. "Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata." National Journal of Physiology, Pharmacy and Pharmacology 14.1 (2024), 6-9. Print. doi:10.5455/njppp.2023.13.01034202331052023



APA (American Psychological Association) Style

Sivaraman, S. & Rajendran, . S. K. (2024) Pharmacokinetic and toxicological in silco profiling of pluchine from the medicinal plant – Pluchea lanceolata. National Journal of Physiology, Pharmacy and Pharmacology, 14 (1), 6-9. doi:10.5455/njppp.2023.13.01034202331052023