Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials
Cannabidiol (CBD), derived from the plant cannabis, can be used in the cosmetics industry for its antioxidant, anti-inflammatory, anti-wrinkle and whitening effects. However, CBD is purified from the hemp plant extract, its source is very limited and under strict control. So in this study, computati...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-01-01
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| Series: | Antioxidants |
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| Online Access: | https://www.mdpi.com/2076-3921/12/2/314 |
| _version_ | 1797622741425192960 |
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| author | Xuelian Chen Jie Su Runan Wang Rui Hao Chenggong Fu Jingjing Chen Jiazhong Li Xin Wang |
| author_facet | Xuelian Chen Jie Su Runan Wang Rui Hao Chenggong Fu Jingjing Chen Jiazhong Li Xin Wang |
| author_sort | Xuelian Chen |
| collection | DOAJ |
| description | Cannabidiol (CBD), derived from the plant cannabis, can be used in the cosmetics industry for its antioxidant, anti-inflammatory, anti-wrinkle and whitening effects. However, CBD is purified from the hemp plant extract, its source is very limited and under strict control. So in this study, computational and experimental methods were combined to search for novel CBD substitutes with high biology potencies. The action mode between CBD and target protein cannabidiol receptor 1 was studied to find the key skeleton, which was used to virtually screen a natural products database to search for compounds with 70% similarity. The hit compounds with high docking scores were selected for the ABTS and DPPH free radical scavenging experiments for antioxidant evaluation. The effects on the expressions of nitric oxide (NO), interleukin-6 (IL-6), COX-2 and iNOS in RAW264.7 cell line were detected to demonstrate their anti-inflammatory abilities. The effect of anti-wrinkle ability were evaluated by detecting the extracellular matrix, such as collagen, elastin, fibronectin and reactive oxygen species (ROS) in HFF-1. The effects on melanin production and tyrosinase activity in Bb16F10 were also detected. As a result, two compounds were found to be superior to cannabidiol, in terms of antioxidant, anti-wrinkle and whitening efficacy with a lower cytotoxicity. |
| first_indexed | 2024-03-11T09:14:32Z |
| format | Article |
| id | doaj.art-f682af53fb7742dda08328a5224f4077 |
| institution | Directory Open Access Journal |
| issn | 2076-3921 |
| language | English |
| last_indexed | 2024-03-11T09:14:32Z |
| publishDate | 2023-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Antioxidants |
| spelling | doaj.art-f682af53fb7742dda08328a5224f40772023-11-16T18:46:25ZengMDPI AGAntioxidants2076-39212023-01-0112231410.3390/antiox12020314Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw MaterialsXuelian Chen0Jie Su1Runan Wang2Rui Hao3Chenggong Fu4Jingjing Chen5Jiazhong Li6Xin Wang7School of Pharmacy, Lanzhou University, 199 West Donggang Rd., Lanzhou 730000, ChinaSchool of Pharmacy, Lanzhou University, 199 West Donggang Rd., Lanzhou 730000, ChinaSchool of Pharmacy, Lanzhou University, 199 West Donggang Rd., Lanzhou 730000, ChinaSchool of Pharmacy, Lanzhou University, 199 West Donggang Rd., Lanzhou 730000, ChinaSchool of Pharmacy, Lanzhou University, 199 West Donggang Rd., Lanzhou 730000, ChinaSchool of Pharmacy, Lanzhou University, 199 West Donggang Rd., Lanzhou 730000, ChinaSchool of Pharmacy, Lanzhou University, 199 West Donggang Rd., Lanzhou 730000, ChinaSchool of Pharmacy, Lanzhou University, 199 West Donggang Rd., Lanzhou 730000, ChinaCannabidiol (CBD), derived from the plant cannabis, can be used in the cosmetics industry for its antioxidant, anti-inflammatory, anti-wrinkle and whitening effects. However, CBD is purified from the hemp plant extract, its source is very limited and under strict control. So in this study, computational and experimental methods were combined to search for novel CBD substitutes with high biology potencies. The action mode between CBD and target protein cannabidiol receptor 1 was studied to find the key skeleton, which was used to virtually screen a natural products database to search for compounds with 70% similarity. The hit compounds with high docking scores were selected for the ABTS and DPPH free radical scavenging experiments for antioxidant evaluation. The effects on the expressions of nitric oxide (NO), interleukin-6 (IL-6), COX-2 and iNOS in RAW264.7 cell line were detected to demonstrate their anti-inflammatory abilities. The effect of anti-wrinkle ability were evaluated by detecting the extracellular matrix, such as collagen, elastin, fibronectin and reactive oxygen species (ROS) in HFF-1. The effects on melanin production and tyrosinase activity in Bb16F10 were also detected. As a result, two compounds were found to be superior to cannabidiol, in terms of antioxidant, anti-wrinkle and whitening efficacy with a lower cytotoxicity.https://www.mdpi.com/2076-3921/12/2/314cannabidiolvirtual screeninganti-oxidationanti-inflammationanti-wrinklewhitening |
| spellingShingle | Xuelian Chen Jie Su Runan Wang Rui Hao Chenggong Fu Jingjing Chen Jiazhong Li Xin Wang Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials Antioxidants cannabidiol virtual screening anti-oxidation anti-inflammation anti-wrinkle whitening |
| title | Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials |
| title_full | Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials |
| title_fullStr | Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials |
| title_full_unstemmed | Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials |
| title_short | Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials |
| title_sort | structural optimization of cannabidiol as multifunctional cosmetic raw materials |
| topic | cannabidiol virtual screening anti-oxidation anti-inflammation anti-wrinkle whitening |
| url | https://www.mdpi.com/2076-3921/12/2/314 |
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