Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>

This study aimed to isolate polyprenylated benzophenones from the rootbark of <i>Garcinia celebica</i> and assess their activities in vitro and in silico. The antioxidant activity was evaluated by the DPPH, ABTS, and FRAP methods. The cytotoxicity was evaluated against HeLa, MCF-7, A549,...

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Autores principales:	Yenni Pintauli Pasaribu, Arif Fadlan, Sri Fatmawati, Taslim Ersam
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	<i>Garcinia celebica</i> polyprenylated benzophenone antioxidant cytotoxicity antiplasmodial molecular docking Biology (General) QH301-705.5
Acceso en línea:	https://doaj.org/article/a474294a34d042f2825412222f6d652b
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spelling	oai:doaj.org-article:a474294a34d042f2825412222f6d652b2021-11-25T16:50:19ZBiological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>10.3390/biomedicines91116542227-9059https://doaj.org/article/a474294a34d042f2825412222f6d652b2021-11-01T00:00:00Zhttps://www.mdpi.com/2227-9059/9/11/1654https://doaj.org/toc/2227-9059This study aimed to isolate polyprenylated benzophenones from the rootbark of <i>Garcinia celebica</i> and assess their activities in vitro and in silico. The antioxidant activity was evaluated by the DPPH, ABTS, and FRAP methods. The cytotoxicity was evaluated against HeLa, MCF-7, A549, and B16 cancer cell lines. The antiplasmodial activity was performed against the chloroquine-sensitive <i>Plasmodium falciparum</i> strain 3D7. Molecular docking was analyzed on alpha-estrogen receptor (3ERT) and <i>P. falciparum</i> lactate dehydrogenase enzyme (1CET). The prediction of ADMET for the compounds was also studied. For the first time, (-)-cycloxanthochymol, isoxanthochymol, and xanthochymol were isolated from the root bark of <i>Garcinia celebica</i>. The antioxidant and cytotoxicity evaluation showed that all benzophenones exhibited antioxidant activity compared to gallic acid and quercetin as positive controls and also exhibited strong activity against HeLa, MCF-7, A549, and B16 cell lines compared to cisplatin as the positive control. The antiplasmodial evaluation showed that isoxanthochymol exhibited activity against the chloroquine-sensitive <i>P. falciparum</i> strain 3D7. In addition, the in silico molecular docking study supported in vitro activities. The ADMET analysis also indicated the isolated benzophenones are potential oral drug candidates.Yenni Pintauli PasaribuArif FadlanSri FatmawatiTaslim ErsamMDPI AGarticle<i>Garcinia celebica</i>polyprenylated benzophenoneantioxidantcytotoxicityantiplasmodialmolecular dockingBiology (General)QH301-705.5ENBiomedicines, Vol 9, Iss 1654, p 1654 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	<i>Garcinia celebica</i> polyprenylated benzophenone antioxidant cytotoxicity antiplasmodial molecular docking Biology (General) QH301-705.5
spellingShingle	<i>Garcinia celebica</i> polyprenylated benzophenone antioxidant cytotoxicity antiplasmodial molecular docking Biology (General) QH301-705.5 Yenni Pintauli Pasaribu Arif Fadlan Sri Fatmawati Taslim Ersam Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>
description	This study aimed to isolate polyprenylated benzophenones from the rootbark of <i>Garcinia celebica</i> and assess their activities in vitro and in silico. The antioxidant activity was evaluated by the DPPH, ABTS, and FRAP methods. The cytotoxicity was evaluated against HeLa, MCF-7, A549, and B16 cancer cell lines. The antiplasmodial activity was performed against the chloroquine-sensitive <i>Plasmodium falciparum</i> strain 3D7. Molecular docking was analyzed on alpha-estrogen receptor (3ERT) and <i>P. falciparum</i> lactate dehydrogenase enzyme (1CET). The prediction of ADMET for the compounds was also studied. For the first time, (-)-cycloxanthochymol, isoxanthochymol, and xanthochymol were isolated from the root bark of <i>Garcinia celebica</i>. The antioxidant and cytotoxicity evaluation showed that all benzophenones exhibited antioxidant activity compared to gallic acid and quercetin as positive controls and also exhibited strong activity against HeLa, MCF-7, A549, and B16 cell lines compared to cisplatin as the positive control. The antiplasmodial evaluation showed that isoxanthochymol exhibited activity against the chloroquine-sensitive <i>P. falciparum</i> strain 3D7. In addition, the in silico molecular docking study supported in vitro activities. The ADMET analysis also indicated the isolated benzophenones are potential oral drug candidates.
format	article
author	Yenni Pintauli Pasaribu Arif Fadlan Sri Fatmawati Taslim Ersam
author_facet	Yenni Pintauli Pasaribu Arif Fadlan Sri Fatmawati Taslim Ersam
author_sort	Yenni Pintauli Pasaribu
title	Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>
title_short	Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>
title_full	Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>
title_fullStr	Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>
title_full_unstemmed	Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>
title_sort	biological activity evaluation and in silico studies of polyprenylated benzophenones from <i>garcinia celebica</i>
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/a474294a34d042f2825412222f6d652b
work_keys_str_mv	AT yennipintaulipasaribu biologicalactivityevaluationandinsilicostudiesofpolyprenylatedbenzophenonesfromigarciniacelebicai AT ariffadlan biologicalactivityevaluationandinsilicostudiesofpolyprenylatedbenzophenonesfromigarciniacelebicai AT srifatmawati biologicalactivityevaluationandinsilicostudiesofpolyprenylatedbenzophenonesfromigarciniacelebicai AT taslimersam biologicalactivityevaluationandinsilicostudiesofpolyprenylatedbenzophenonesfromigarciniacelebicai
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Biological Activity Evaluation and In Silico Studies of Polyprenylated Benzophenones from <i>Garcinia celebica</i>

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