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All Journal HAYATI Journal of Biosciences Jurnal Silvikultur Tropika (JST) Jurnal Floratek Proceedings of Annual International Conference Syiah Kuala University - Life Sciences & Engineering Chapter BIOTROPIA - The Southeast Asian Journal of Tropical Biology AL KAUNIYAH BIOTIK: Jurnal Ilmiah Biologi Teknologi dan Kependidikan Journal of Aceh Physics Society Jurnal Penelitian Pendidikan IPA (JPPIPA) Prosiding Seminar Nasional Biologi, Teknologi dan Kependidikan (Biotik) Makara Journal of Science Jurnal Natural Journal of Patchouli and Essential Oil Products Jurnal Ilmiah Mahasiswa Pertanian Heca Journal of Applied Sciences Grimsa Journal of Science Engineering and Technology Biosaintifika: Journal of Biology & Biology Education Biosainsdik: Biologi Sains dan Kependidikan
Essy Harnelly
Biology Department, Faculty Of Mathematics And Natural Sciences, Syiah Kuala University
Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Decision Sciences, Operations Research & Management Dentistry Earth & Planetary Sciences Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Library & Information Science Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Veterinary Other

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Journal : Makara Journal of Science

 1 
Pro-Apoptosis Activity of Pogostemon cablin Benth. Against Nasopharyngeal Carcinoma through the BCL-2 Inhibition Signaling Pathway: A Computational Investigation Syahraini, Aigia; Harnelly, Essy; Hermanto, Feri Eko
Makara Journal of Science Vol. 27, No. 3
Publisher : UI Scholars Hub

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Abstract

Resistance to chemotherapy and radiotherapy frequently emerges in the later stage of nasopharyngeal carcinoma (NPC) tumorigenesis. The decreased response of NPC to radiotherapy and chemotherapy occurs owing to the inhibition of cancer cell apoptosis by the B-cell lymphoma-2 (BCL-2) protein. Thus, inhibiting BCL-2 protein may become a powerful approach to eliminate NPC through apoptosis regulation. Meanwhile, Pogostemon cablin is reported to exhibit anticancer properties, but there are limited studies on its use for NPC treatment. The objective of this study is to investigate the potential bioactive compounds in P. cablin as anti-apoptosis BCL-2 protein inhibitors using in-silico approach. Natural compounds from P. cablin were retrieved from the KNApSAcK database and screened for inhibitory effects on BCL-2 protein via molecular docking coupled with molecular dynamics. It was found that apigenin, rhamnetin, and apigenin 7-(6″-p coumarylglucoside) showed potential inhibitory properties against BCL-2 protein based on binding affinity and interaction chemistry. The highest binding affinity was recorded for apigenin 7-(6″-p coumarylglucoside) at −9.9 kcal/mol, followed by rhamnetin and apigenin at −7.2 kcal/mol. These compounds are also bound to the inhibitory sites of BCL-2 and venetoclax, mainly by hydrophobic bonds and Van der Waals interactions. Nevertheless, molecular dynamics simulations revealed that apigenin 7-(6″-p-coumarylglucoside) had unstable conformation and binding to BCL-2. In summary, this study demonstrated that P. cablin has excellent potency as an alternative or complementary therapy against radiotherapy and chemotherapy resistance of NPC, mainly through rhamnetin and apigenin.
Co-Authors Adrian Damora Afidh, Razief Perucha Fauzie Agus Sara Akhyar, Fikrul Amirunnas , Amirunnas Annisa Ammalia Kiti Ardhana Yulisma Arif Habibal Umam Ariqah, Nada Azzahra, Syarifah Fathimah Cici Ariska A Dina Firmadiana Fahira, Cut Nathasya Faradhila, Jihan Fauzi, Fazlin Mohd Fauziah . Fenty Ferayanti Gani, Fadli A. Habib, Ahasan Hairul Basri Hawati Hawati HENDRIX INDRA KUSUMA Hermanto, Feri Eko Idroes, Ghifari Maulana Iqbar Iqbar Iqbar Irma Dewiyanti Irma Fitri, Irma Irma Sari ISKANDAR ZULKARNAIN SIREGAR Isnaini, Nadia Itawarnemi, Hilmina Khairan Khairan Kiti, Annisa Ammalia Kusuma, Hendrix KUSUMA, HENDRIX INDRA Lenni Fitri Lydia Septa Desiyana, Lydia Septa M. Satria Fitri Malahayati T. Hanafiah Martunis - Martunis Martunis Maysarah, Hilda Meutia Zahara Mira Humaira Misbullah, Alim Misrahanum Misrahanum MUHAMMAD ADRIYAN FITRA MUHAMMAD BAHI Muhammad Irfan Muhammad Rusdi Muhammad Subianto Munira, Alya Mutia Zahara Nafissa, Naja Nanda Muhammad Razi Nazaruddin Nir Fathiya NITA TAUHIDA NITA TAUHIDA Nur Fadli Nurur Rahmy Oktaviana, Nurul Onny Ulfa Rahayu Prajaputra, Vicky Rahayu, Sri Riska Ramadhaniaty, Mutia Ramlan, Risa Riani Rauzana, Anita RIDHA UL FAHMI Rina Sriwati Rinaldi Idroes Rizki Amelia Rizki, Alia Rizky Amelia Rusita Fitri Saida Rasnovi SAIDA RASNOVI Saida Rasnovi Samingan Samingan Sari, Febia Saudah Saudah SITI MARYAM Siti-Azizah, Mohd Nor Sreeramanan Subramaniam Sri Jumiati, Sri Sri Wati Suryadi Suryadi Syaharani, Cut Puspita Salsabila Syahraini, Aigia Syaifullah Muhammad Teuku Rizky Noviandy Ulfa hansri Ar-Rasyid Widya Sari Wira Dharma Wisnu Ananta Kusuma Yekki Yasmin Yudi Haditiar YUNITA Yunita Yunita Yurinda Yurinda ZAINAL ABIDIN MUCHLISIN Zairin Thomy Zairin Thomy Zairin Thomy Zairin Thomy ZAIRIN THOMY Zairin Thomy Zairin Thomy Zairin Thomy Zairin Thomy Zakaria, Rahmad Zulfan Zulkarnain Zulkarnain Zulwanis, Zulwanis Zumaidar Zumaidar Zumaidar