Protective Effects of <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i> Edible Plant Extracts against Lung Cancer, Inflammation, and Oxidative Stress—<i>In Silico</i> and <i>In Vitro</i> Study

The family Thymelaeaceae, which includes huge evergreen trees that are sparsely distributed in tropical rainforests, includes the genus <i>Aquilaria</i>. Numerous medical conditions, including inflammation, cancer, and oxidative stress have been traditionally treated using <i>Aquil...

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Main Authors: Jinnatun Nahar, Vinothini Boopathi, Esrat Jahan Rupa, Muhammad Awais, Anjali Kariyarath Valappil, Md Niaj Morshed, Mohanapriya Murugesan, Reshmi Akter, Dong Uk Yang, Ramya Mathiyalagan, Deok Chun Yang, Seok-Kyu Jung
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Applied Sciences
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Online Access:https://www.mdpi.com/2076-3417/13/10/6321
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author Jinnatun Nahar
Vinothini Boopathi
Esrat Jahan Rupa
Muhammad Awais
Anjali Kariyarath Valappil
Md Niaj Morshed
Mohanapriya Murugesan
Reshmi Akter
Dong Uk Yang
Ramya Mathiyalagan
Deok Chun Yang
Seok-Kyu Jung
author_facet Jinnatun Nahar
Vinothini Boopathi
Esrat Jahan Rupa
Muhammad Awais
Anjali Kariyarath Valappil
Md Niaj Morshed
Mohanapriya Murugesan
Reshmi Akter
Dong Uk Yang
Ramya Mathiyalagan
Deok Chun Yang
Seok-Kyu Jung
author_sort Jinnatun Nahar
collection DOAJ
description The family Thymelaeaceae, which includes huge evergreen trees that are sparsely distributed in tropical rainforests, includes the genus <i>Aquilaria</i>. Numerous medical conditions, including inflammation, cancer, and oxidative stress have been traditionally treated using <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i>. In this study, we evaluated <i>in silico</i> and biological activity with <i>A. agallocha</i> and <i>A. malaccensis</i> sample for more conformation. Raw 264.7 macrophage cells and HacaT cells were used, together with the MTT, ROS, NO, and wound healing assays, to investigate the possible cytotoxicity in A549 lung cancer. Thus, <i>A. agallocha</i> and <i>A. malaccensis</i> showed significant cytotoxicity against A549 cancer cells at 1000 µg/mL. Furthermore, we observed an elevated ROS level in cancer cells. The wound healing assay showed cancer cell inhibition activity. While <i>BCL-2</i> decreased in the intrinsic route, <i>p53</i>, <i>Bax</i>, <i>Caspase 3</i>, and <i>Caspase 9</i> were elevated by A.A and A.M. Additionally, we have also conducted an <i>in silico</i> evaluation followed by molecular dynamics (MD) simulations, along with ADMET and biological activity prediction to further validate the experimental results. In normal cells, both samples showed less toxicity at 1000 µg/mL and suppressed the LPS-treated NO and ROS levels against the inflammation. Additionally, A.A and A.M suppressed the pro-inflammatory gene expression of <i>COX-2</i>, <i>iNOS</i>, <i>TNF-α</i>, <i>IL-6</i>, and <i>IL-8</i> in RAW 264.7 cells. On the other hand, A.A and A.M extract effectively suppressed oxidative stress by increasing the antioxidative gene expression in H<sub>2</sub>O<sub>2</sub>-induced HaCat cells at 50 μg/mL. This study revealed that the plant extracts from <i>A. agallocha</i> and <i>A. malaccensis</i> could exert a cytotoxic effect on lung adenocarcinoma cells through the activation of an intrinsic signaling pathway. Moreover, it could be a potential source of anti-inflammatory, antioxidant, and anti-cancer agents after consideration of <i>in vivo</i> and clinical studies.
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spelling doaj.art-808e4fe7a6844871925a9f3a155a09e12023-11-18T00:23:54ZengMDPI AGApplied Sciences2076-34172023-05-011310632110.3390/app13106321Protective Effects of <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i> Edible Plant Extracts against Lung Cancer, Inflammation, and Oxidative Stress—<i>In Silico</i> and <i>In Vitro</i> StudyJinnatun Nahar0Vinothini Boopathi1Esrat Jahan Rupa2Muhammad Awais3Anjali Kariyarath Valappil4Md Niaj Morshed5Mohanapriya Murugesan6Reshmi Akter7Dong Uk Yang8Ramya Mathiyalagan9Deok Chun Yang10Seok-Kyu Jung11Graduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaGraduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaGraduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaGraduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaDepartment of Biopharmaceutical Biotechnology, College of Life Sciences, Kyung Hee University, Yongin-si 17104, Gyeonggi-do, Republic of KoreaGraduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaGraduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaGraduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaHanbangbio Inc., Yongin-si 17104, Gyeonggi-do, Republic of KoreaGraduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaGraduate School of Biotechnology, College of Life Sciences, Kyung Hee University, Yongin 17104, Gyeonggi-do, Republic of KoreaDepartment of Horticulture, Kongju National University, Yesan 32439, Chungcheongnam-do, Republic of KoreaThe family Thymelaeaceae, which includes huge evergreen trees that are sparsely distributed in tropical rainforests, includes the genus <i>Aquilaria</i>. Numerous medical conditions, including inflammation, cancer, and oxidative stress have been traditionally treated using <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i>. In this study, we evaluated <i>in silico</i> and biological activity with <i>A. agallocha</i> and <i>A. malaccensis</i> sample for more conformation. Raw 264.7 macrophage cells and HacaT cells were used, together with the MTT, ROS, NO, and wound healing assays, to investigate the possible cytotoxicity in A549 lung cancer. Thus, <i>A. agallocha</i> and <i>A. malaccensis</i> showed significant cytotoxicity against A549 cancer cells at 1000 µg/mL. Furthermore, we observed an elevated ROS level in cancer cells. The wound healing assay showed cancer cell inhibition activity. While <i>BCL-2</i> decreased in the intrinsic route, <i>p53</i>, <i>Bax</i>, <i>Caspase 3</i>, and <i>Caspase 9</i> were elevated by A.A and A.M. Additionally, we have also conducted an <i>in silico</i> evaluation followed by molecular dynamics (MD) simulations, along with ADMET and biological activity prediction to further validate the experimental results. In normal cells, both samples showed less toxicity at 1000 µg/mL and suppressed the LPS-treated NO and ROS levels against the inflammation. Additionally, A.A and A.M suppressed the pro-inflammatory gene expression of <i>COX-2</i>, <i>iNOS</i>, <i>TNF-α</i>, <i>IL-6</i>, and <i>IL-8</i> in RAW 264.7 cells. On the other hand, A.A and A.M extract effectively suppressed oxidative stress by increasing the antioxidative gene expression in H<sub>2</sub>O<sub>2</sub>-induced HaCat cells at 50 μg/mL. This study revealed that the plant extracts from <i>A. agallocha</i> and <i>A. malaccensis</i> could exert a cytotoxic effect on lung adenocarcinoma cells through the activation of an intrinsic signaling pathway. Moreover, it could be a potential source of anti-inflammatory, antioxidant, and anti-cancer agents after consideration of <i>in vivo</i> and clinical studies.https://www.mdpi.com/2076-3417/13/10/6321<i>Aquilaria agallocha</i><i>Aquilaria malaccensis</i>molecular dockinganti-canceranti-inflammationantioxidant
spellingShingle Jinnatun Nahar
Vinothini Boopathi
Esrat Jahan Rupa
Muhammad Awais
Anjali Kariyarath Valappil
Md Niaj Morshed
Mohanapriya Murugesan
Reshmi Akter
Dong Uk Yang
Ramya Mathiyalagan
Deok Chun Yang
Seok-Kyu Jung
Protective Effects of <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i> Edible Plant Extracts against Lung Cancer, Inflammation, and Oxidative Stress—<i>In Silico</i> and <i>In Vitro</i> Study
Applied Sciences
<i>Aquilaria agallocha</i>
<i>Aquilaria malaccensis</i>
molecular docking
anti-cancer
anti-inflammation
antioxidant
title Protective Effects of <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i> Edible Plant Extracts against Lung Cancer, Inflammation, and Oxidative Stress—<i>In Silico</i> and <i>In Vitro</i> Study
title_full Protective Effects of <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i> Edible Plant Extracts against Lung Cancer, Inflammation, and Oxidative Stress—<i>In Silico</i> and <i>In Vitro</i> Study
title_fullStr Protective Effects of <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i> Edible Plant Extracts against Lung Cancer, Inflammation, and Oxidative Stress—<i>In Silico</i> and <i>In Vitro</i> Study
title_full_unstemmed Protective Effects of <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i> Edible Plant Extracts against Lung Cancer, Inflammation, and Oxidative Stress—<i>In Silico</i> and <i>In Vitro</i> Study
title_short Protective Effects of <i>Aquilaria agallocha</i> and <i>Aquilaria malaccensis</i> Edible Plant Extracts against Lung Cancer, Inflammation, and Oxidative Stress—<i>In Silico</i> and <i>In Vitro</i> Study
title_sort protective effects of i aquilaria agallocha i and i aquilaria malaccensis i edible plant extracts against lung cancer inflammation and oxidative stress i in silico i and i in vitro i study
topic <i>Aquilaria agallocha</i>
<i>Aquilaria malaccensis</i>
molecular docking
anti-cancer
anti-inflammation
antioxidant
url https://www.mdpi.com/2076-3417/13/10/6321
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