HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of <i>Curcuma aeruginosa</i> Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico Screening
Human immunodeficiency virus type-1 (HIV-1) infection causes acquired immunodeficiency syndrome (AIDS). Currently, several anti-retroviral drugs are available, but adverse effects of these drugs have been reported. Herein, we focused on the anti-HIV-1 activity of <i>Curcuma aeruginosa</i>...
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MDPI AG
2021-10-01
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| Series: | Pharmaceuticals |
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| Online Access: | https://www.mdpi.com/1424-8247/14/11/1115 |
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| author | Chanin Sillapachaiyaporn Panthakarn Rangsinth Sunita Nilkhet Nuntanat Moungkote Siriporn Chuchawankul |
| author_facet | Chanin Sillapachaiyaporn Panthakarn Rangsinth Sunita Nilkhet Nuntanat Moungkote Siriporn Chuchawankul |
| author_sort | Chanin Sillapachaiyaporn |
| collection | DOAJ |
| description | Human immunodeficiency virus type-1 (HIV-1) infection causes acquired immunodeficiency syndrome (AIDS). Currently, several anti-retroviral drugs are available, but adverse effects of these drugs have been reported. Herein, we focused on the anti-HIV-1 activity of <i>Curcuma aeruginosa</i> Roxb. (CA) extracted by hexane (CA-H), ethyl acetate (CA-EA), and methanol (CA-M). The in vitro HIV-1 protease (PR) and HIV-1 reverse transcriptase (RT) inhibitory activities of CA extracts were screened. CA-M potentially inhibited HIV-1 PR (82.44%) comparable to Pepstatin A (81.48%), followed by CA-EA (67.05%) and CA-H (47.6%), respectively. All extracts exhibited moderate inhibition of HIV-1 RT (64.97 to 76.93%). Besides, phytochemical constituents of CA extracts were identified by GC-MS and UPLC-HRMS. Fatty acids, amino acids, and terpenoids were the major compounds found in the extracts. Furthermore, drug-likeness parameters and the ability of CA-identified compounds on blocking of the HIV-1 PR and RT active sites were in silico investigated. Dihydroergocornine, 3β,6α,7α-trihydroxy-5β-cholan-24-oic acid, and 6β,11β,16α,17α,21-Pentahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide showed strong binding affinities at the active residues of both HIV-1 PR and RT. Moreover, antioxidant activity of CA extracts was determined. CA-EA exhibited the highest antioxidant activity, which positively related to the amount of total phenolic content. This study provided beneficial data for anti-HIV-1 drug discovery from CA extracts. |
| first_indexed | 2024-03-10T05:10:05Z |
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| id | doaj.art-868825416cb14bffa4f2f4ba30a4ba17 |
| institution | Directory Open Access Journal |
| issn | 1424-8247 |
| language | English |
| last_indexed | 2024-03-10T05:10:05Z |
| publishDate | 2021-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Pharmaceuticals |
| spelling | doaj.art-868825416cb14bffa4f2f4ba30a4ba172023-11-23T00:55:28ZengMDPI AGPharmaceuticals1424-82472021-10-011411111510.3390/ph14111115HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of <i>Curcuma aeruginosa</i> Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico ScreeningChanin Sillapachaiyaporn0Panthakarn Rangsinth1Sunita Nilkhet2Nuntanat Moungkote3Siriporn Chuchawankul4Program in Clinical Biochemistry and Molecular Medicine, Department of Clinical Chemistry, Faculty of Allied Health Sciences, Chulalongkorn University, Bangkok 10330, ThailandDepartment of Transfusion Medicine and Clinical Microbiology, Faculty of Allied Health Sciences, Chulalongkorn University, Bangkok 10330, ThailandProgram in Clinical Biochemistry and Molecular Medicine, Department of Clinical Chemistry, Faculty of Allied Health Sciences, Chulalongkorn University, Bangkok 10330, ThailandDepartment of Transfusion Medicine and Clinical Microbiology, Faculty of Allied Health Sciences, Chulalongkorn University, Bangkok 10330, ThailandDepartment of Transfusion Medicine and Clinical Microbiology, Faculty of Allied Health Sciences, Chulalongkorn University, Bangkok 10330, ThailandHuman immunodeficiency virus type-1 (HIV-1) infection causes acquired immunodeficiency syndrome (AIDS). Currently, several anti-retroviral drugs are available, but adverse effects of these drugs have been reported. Herein, we focused on the anti-HIV-1 activity of <i>Curcuma aeruginosa</i> Roxb. (CA) extracted by hexane (CA-H), ethyl acetate (CA-EA), and methanol (CA-M). The in vitro HIV-1 protease (PR) and HIV-1 reverse transcriptase (RT) inhibitory activities of CA extracts were screened. CA-M potentially inhibited HIV-1 PR (82.44%) comparable to Pepstatin A (81.48%), followed by CA-EA (67.05%) and CA-H (47.6%), respectively. All extracts exhibited moderate inhibition of HIV-1 RT (64.97 to 76.93%). Besides, phytochemical constituents of CA extracts were identified by GC-MS and UPLC-HRMS. Fatty acids, amino acids, and terpenoids were the major compounds found in the extracts. Furthermore, drug-likeness parameters and the ability of CA-identified compounds on blocking of the HIV-1 PR and RT active sites were in silico investigated. Dihydroergocornine, 3β,6α,7α-trihydroxy-5β-cholan-24-oic acid, and 6β,11β,16α,17α,21-Pentahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide showed strong binding affinities at the active residues of both HIV-1 PR and RT. Moreover, antioxidant activity of CA extracts was determined. CA-EA exhibited the highest antioxidant activity, which positively related to the amount of total phenolic content. This study provided beneficial data for anti-HIV-1 drug discovery from CA extracts.https://www.mdpi.com/1424-8247/14/11/1115<i>Curcuma aeruginosa</i> Roxb.HIV-1 protease inhibitorHIV-1 reverse transcriptase inhibitorimmunodeficiency virusAIDSvirtual screening |
| spellingShingle | Chanin Sillapachaiyaporn Panthakarn Rangsinth Sunita Nilkhet Nuntanat Moungkote Siriporn Chuchawankul HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of <i>Curcuma aeruginosa</i> Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico Screening Pharmaceuticals <i>Curcuma aeruginosa</i> Roxb. HIV-1 protease inhibitor HIV-1 reverse transcriptase inhibitor immunodeficiency virus AIDS virtual screening |
| title | HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of <i>Curcuma aeruginosa</i> Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico Screening |
| title_full | HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of <i>Curcuma aeruginosa</i> Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico Screening |
| title_fullStr | HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of <i>Curcuma aeruginosa</i> Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico Screening |
| title_full_unstemmed | HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of <i>Curcuma aeruginosa</i> Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico Screening |
| title_short | HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of <i>Curcuma aeruginosa</i> Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico Screening |
| title_sort | hiv 1 protease and reverse transcriptase inhibitory activities of i curcuma aeruginosa i roxb rhizome extracts and the phytochemical profile analysis in vitro and in silico screening |
| topic | <i>Curcuma aeruginosa</i> Roxb. HIV-1 protease inhibitor HIV-1 reverse transcriptase inhibitor immunodeficiency virus AIDS virtual screening |
| url | https://www.mdpi.com/1424-8247/14/11/1115 |
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