Discovery of skin lightening agents in Curcuma longa using computational methods

Curcuma longa has been reported to impart fairness to human skin traditionally. However, the empirical evidence of this report has barely being actualized. Efforts were made by using Molecular Docking approach and Adsorption Distribution Metabolism Excretion and Toxicity (ADMET) analysis to identify the potential compounds responsible for imparting fairness. The results showed that the hit compounds - Turmerone, curlone, 6-Octadecenoic acid (Z)-, Ar-turmerone, 9-Octadecenoic acid and Hexanoic acid, 5-oxo-,ethyl ester were the most abundant compounds with percentages 16.7 %, 9.31 %, 9.19 %, 7.98 %, 6.65 % and 5.24 % have more stable binding affinity on the human tyrosinase-related protein 1 and ADMET analysis proved these hit compounds to be skin friendly.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-10-23
DOI
https://doi.org/10.5281/zenodo.18096128
Primary Topic
melanin and skin pigmentation
Type
article
Field-Weighted Citation Impact
0.00
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article

Discovery of skin lightening agents in Curcuma longa using computational methods

Chiagoziem Wisdom Chidiebere, Abah Veronica Chioma
Zenodo (CERN European Organization for Nuclear Research)
melanin and skin pigmentation
article

Discovery of skin lightening agents in Curcuma longa using computational methods

Chiagoziem Wisdom Chidiebere, Abah Veronica Chioma
article en

Abstract

Curcuma longa has been reported to impart fairness to human skin traditionally. However, the empirical evidence of this report has barely being actualized. Efforts were made by using Molecular Docking approach and Adsorption Distribution Metabolism Excretion and Toxicity (ADMET) analysis to identify the potential compounds responsible for imparting fairness. The results showed that the hit compounds - Turmerone, curlone, 6-Octadecenoic acid (Z)-, Ar-turmerone, 9-Octadecenoic acid and Hexanoic acid, 5-oxo-,ethyl ester were the most abundant compounds with percentages 16.7 %, 9.31 %, 9.19 %, 7.98 %, 6.65 % and 5.24 % have more stable binding affinity on the human tyrosinase-related protein 1 and ADMET analysis proved these hit compounds to be skin friendly.

Zenodo (CERN European Organization for Nuclear Research)
Imo State University (NG)
Openalex Percentile: Top 48%
melanin and skin pigmentation
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