In vitro and in silico studies of Lawsone on inflammation-induced skin cells for development of skin anti-inflammatory treatment
Lawsone, an active phytoconstituent of Lawsonia inermis sp., is proposed as a safer alternative for the current skin anti-inflammatory treatments that are mainly steroidal with unwanted side effects which does not conform to the concept of halalan toyyiban in medicine. This study aims to investiga...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Malaysian Society of Applied Biology
2024
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| Online Access: | http://psasir.upm.edu.my/id/eprint/114365/ http://psasir.upm.edu.my/id/eprint/114365/1/114365.pdf |
| _version_ | 1848866472061829120 |
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| author | Abdullah, Shazleen Sofea Mohammad Latif, Muhammad Alif Md Tohid, Siti Farah |
| author_facet | Abdullah, Shazleen Sofea Mohammad Latif, Muhammad Alif Md Tohid, Siti Farah |
| author_sort | Abdullah, Shazleen Sofea |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | Lawsone, an active phytoconstituent of Lawsonia inermis sp., is proposed as a safer alternative for the current
skin anti-inflammatory treatments that are mainly steroidal with unwanted side effects which does not conform to
the concept of halalan toyyiban in medicine. This study aims to investigate the inhibitory mechanism of lawsone
on pro-inflammatory cytokine, TNF (tumour necrosis factor)-α through in silico and in vitro methods. The inhibitory
mechanism of lawsone were investigated via molecular docking and molecular dynamics which were performed
via AutoDock Vina and GROMACS softwares, respectively. The results were then analysed via PyMol, Proteins
Plus, RMSD and RMSF graphs. Subsequently, cytotoxicity of lawsone towards A431 skin epidermoid and 3T3
fibroblast cells, was determined via MTT assay. Lawsone was further tested on A431 cells stimulated with ethanol
(200 mM) or hydrogen peroxide (250 µM) for 24 hours (acute) and 48 hours (chronic) to induce pro-inflammatory
cytokine (TNF-α) release. Cell viabilities were determined via MTT assay and expression of TNF-α were measured
via ELISA. In silico works predicted lawsone’s ability to bind to TNF-α with good binding affinity without disruption
to the protein’s structure stability.Lawsone is proven to be safe towards non-pathological cells. Lawsone exhibited
significant anti-inflammatory effect on inflammation induced A431 epidermoid cells. ELISA results were not as
expected as compared to previous in silico study, but an anti-inflammatory pattern can be observed in the chronic
ethanol-induced treatment groups. In conclusion, lawsone is shown to have potential to be developed as a halalan-
toyyiban alternative for skin anti-inflammatory treatment. |
| first_indexed | 2025-11-15T14:21:08Z |
| format | Article |
| id | upm-114365 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T14:21:08Z |
| publishDate | 2024 |
| publisher | Malaysian Society of Applied Biology |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-1143652025-01-20T00:50:55Z http://psasir.upm.edu.my/id/eprint/114365/ In vitro and in silico studies of Lawsone on inflammation-induced skin cells for development of skin anti-inflammatory treatment Abdullah, Shazleen Sofea Mohammad Latif, Muhammad Alif Md Tohid, Siti Farah Lawsone, an active phytoconstituent of Lawsonia inermis sp., is proposed as a safer alternative for the current skin anti-inflammatory treatments that are mainly steroidal with unwanted side effects which does not conform to the concept of halalan toyyiban in medicine. This study aims to investigate the inhibitory mechanism of lawsone on pro-inflammatory cytokine, TNF (tumour necrosis factor)-α through in silico and in vitro methods. The inhibitory mechanism of lawsone were investigated via molecular docking and molecular dynamics which were performed via AutoDock Vina and GROMACS softwares, respectively. The results were then analysed via PyMol, Proteins Plus, RMSD and RMSF graphs. Subsequently, cytotoxicity of lawsone towards A431 skin epidermoid and 3T3 fibroblast cells, was determined via MTT assay. Lawsone was further tested on A431 cells stimulated with ethanol (200 mM) or hydrogen peroxide (250 µM) for 24 hours (acute) and 48 hours (chronic) to induce pro-inflammatory cytokine (TNF-α) release. Cell viabilities were determined via MTT assay and expression of TNF-α were measured via ELISA. In silico works predicted lawsone’s ability to bind to TNF-α with good binding affinity without disruption to the protein’s structure stability.Lawsone is proven to be safe towards non-pathological cells. Lawsone exhibited significant anti-inflammatory effect on inflammation induced A431 epidermoid cells. ELISA results were not as expected as compared to previous in silico study, but an anti-inflammatory pattern can be observed in the chronic ethanol-induced treatment groups. In conclusion, lawsone is shown to have potential to be developed as a halalan- toyyiban alternative for skin anti-inflammatory treatment. Malaysian Society of Applied Biology 2024-09 Article PeerReviewed text en http://psasir.upm.edu.my/id/eprint/114365/1/114365.pdf Abdullah, Shazleen Sofea and Mohammad Latif, Muhammad Alif and Md Tohid, Siti Farah (2024) In vitro and in silico studies of Lawsone on inflammation-induced skin cells for development of skin anti-inflammatory treatment. Malaysian Applied Biology, 53 (3). pp. 197-209. ISSN 0126-8643; eISSN: 2462-151X https://jms.mabjournal.com/index.php/mab/article/view/2801 10.55230/mabjournal.v53i3.2801 |
| spellingShingle | Abdullah, Shazleen Sofea Mohammad Latif, Muhammad Alif Md Tohid, Siti Farah In vitro and in silico studies of Lawsone on inflammation-induced skin cells for development of skin anti-inflammatory treatment |
| title | In vitro and in silico studies of Lawsone on inflammation-induced
skin cells for development of skin anti-inflammatory treatment |
| title_full | In vitro and in silico studies of Lawsone on inflammation-induced
skin cells for development of skin anti-inflammatory treatment |
| title_fullStr | In vitro and in silico studies of Lawsone on inflammation-induced
skin cells for development of skin anti-inflammatory treatment |
| title_full_unstemmed | In vitro and in silico studies of Lawsone on inflammation-induced
skin cells for development of skin anti-inflammatory treatment |
| title_short | In vitro and in silico studies of Lawsone on inflammation-induced
skin cells for development of skin anti-inflammatory treatment |
| title_sort | in vitro and in silico studies of lawsone on inflammation-induced
skin cells for development of skin anti-inflammatory treatment |
| url | http://psasir.upm.edu.my/id/eprint/114365/ http://psasir.upm.edu.my/id/eprint/114365/ http://psasir.upm.edu.my/id/eprint/114365/ http://psasir.upm.edu.my/id/eprint/114365/1/114365.pdf |