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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Autores principales:	Chanin Sillapachaiyaporn, Panthakarn Rangsinth, Sunita Nilkhet, Nuntanat Moungkote, Siriporn Chuchawankul
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	<i>Curcuma aeruginosa</i> Roxb. HIV-1 protease inhibitor HIV-1 reverse transcriptase inhibitor immunodeficiency virus AIDS virtual screening Medicine R Pharmacy and materia medica RS1-441
Acceso en línea:	https://doaj.org/article/868825416cb14bffa4f2f4ba30a4ba17
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spelling	oai:doaj.org-article:868825416cb14bffa4f2f4ba30a4ba172021-11-25T18:39:28ZHIV-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 Screening10.3390/ph141111151424-8247https://doaj.org/article/868825416cb14bffa4f2f4ba30a4ba172021-10-01T00:00:00Zhttps://www.mdpi.com/1424-8247/14/11/1115https://doaj.org/toc/1424-8247Human 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.Chanin SillapachaiyapornPanthakarn RangsinthSunita NilkhetNuntanat MoungkoteSiriporn ChuchawankulMDPI AGarticle<i>Curcuma aeruginosa</i> Roxb.HIV-1 protease inhibitorHIV-1 reverse transcriptase inhibitorimmunodeficiency virusAIDSvirtual screeningMedicineRPharmacy and materia medicaRS1-441ENPharmaceuticals, Vol 14, Iss 1115, p 1115 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	<i>Curcuma aeruginosa</i> Roxb. HIV-1 protease inhibitor HIV-1 reverse transcriptase inhibitor immunodeficiency virus AIDS virtual screening Medicine R Pharmacy and materia medica RS1-441
spellingShingle	<i>Curcuma aeruginosa</i> Roxb. HIV-1 protease inhibitor HIV-1 reverse transcriptase inhibitor immunodeficiency virus AIDS virtual screening Medicine R Pharmacy and materia medica RS1-441 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
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.
format	article
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
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_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_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_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
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/868825416cb14bffa4f2f4ba30a4ba17
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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

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