Assessing Drug-Likeness The Natural Compounds of Polar Extract Curcuma xanthorrhiza Rhizome via Lipinski's Rules with SWISSADME Web Tool

Curcuma xanthorrhiza, commonly known as Javanese turmeric, is widely recognized for its medicinal properties, with its polar extract containing various bioactive compounds. This study aims to assess the drug-likeness of natural compounds found in the polar extract of Curcuma xanthorrhiza rhizome using Lipinski's Rule of Five, analyzed through the SWISSADME web tool. The compounds alpha pinene, alpha thujene, beta pinene, and zingiberene were evaluated for their physicochemical properties, including molecular weight, hydrogen bond donors and acceptors, lipophilicity, and solubility. The analysis confirms that these compounds meet the criteria for oral drug-likeness. Additionally, specific parameters such as fractionCsp3, iLOGP, and MLOGP were found to significantly influence the permeability of these compounds, further supporting their potential as orally administered therapeutics. The findings underscore the utility of SWISSADME in preclinical screening of natural products, offering a valuable approach to identify promising candidates for drug development. This study highlights the potential of Curcuma xanthorrhiza polar extract as a source of drug-like compounds, paving the way for further pharmacological and clinical investigations.

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Publication Details

Journal
Jurnal Indah Sains dan Klinis
Published
2024-12-31
DOI
https://doi.org/10.52622/jisk.v5i3.03
Primary Topic
Computational Drug Discovery Methods
Type
article
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article

Assessing Drug-Likeness The Natural Compounds of Polar Extract Curcuma xanthorrhiza Rhizome via Lipinski's Rules with SWISSADME Web Tool

Sumardi Sumardi, Suprianto Suprianto
Jurnal Indah Sains dan Klinis
Computational Drug Discovery Methods
article

Assessing Drug-Likeness The Natural Compounds of Polar Extract Curcuma xanthorrhiza Rhizome via Lipinski's Rules with SWISSADME Web Tool

Sumardi Sumardi, Suprianto Suprianto
article en

Abstract

Curcuma xanthorrhiza, commonly known as Javanese turmeric, is widely recognized for its medicinal properties, with its polar extract containing various bioactive compounds. This study aims to assess the drug-likeness of natural compounds found in the polar extract of Curcuma xanthorrhiza rhizome using Lipinski's Rule of Five, analyzed through the SWISSADME web tool. The compounds alpha pinene, alpha thujene, beta pinene, and zingiberene were evaluated for their physicochemical properties, including molecular weight, hydrogen bond donors and acceptors, lipophilicity, and solubility. The analysis confirms that these compounds meet the criteria for oral drug-likeness. Additionally, specific parameters such as fractionCsp3, iLOGP, and MLOGP were found to significantly influence the permeability of these compounds, further supporting their potential as orally administered therapeutics. The findings underscore the utility of SWISSADME in preclinical screening of natural products, offering a valuable approach to identify promising candidates for drug development. This study highlights the potential of Curcuma xanthorrhiza polar extract as a source of drug-like compounds, paving the way for further pharmacological and clinical investigations.

Jurnal Indah Sains dan KlinisVol. 5(3)
Institut Kesehatan Medistra Lubuk Pakam (ID)
Openalex Percentile: Top 69%
Computational Drug Discovery Methods
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Assessing Drug-Likeness The Natural Compounds of Polar Extract Curcuma xanthorrhiza Rhizome via Lipinski's Rules with SWISSADME Web Tool — Sumardi Sumardi, Suprianto Suprianto · Jurnal Indah Sains dan Klinis (2024) | TGRS Research Map | TGRS