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Journal : Indonesian Journal of Pharmaceutical Science and Technology

In Silico Study of Cembranoid-Type Diterpene Targeting Kirsten Rat Sarcoma Virus (KRAS) Gene in Lung Cancer Teuku Baihaqi Septiady; Muhammad Rafli Hidayatullah; Ainur Rofiq; Afifah Endah Dwi Purianti; Indyra Mahrani Lubis; Nesya Alya Fayyaza; Humairah Medina Liza Lubis
Indonesian Journal of Pharmaceutical Science and Technology Suppl. 4, No. 1 (2022)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v1i1.42821

Abstract

Lung cancer is genetic changes in the V-Ki-ras2 gene Kirsten rat sarcoma viral oncogene homolog(KRAS), which is involved in signaling pathways related to proliferation, cell differentiation, andapoptosis. Point mutations in the KRAS gene were detected in 15% to 20% of all Non-Small Cell LungCarcinoma (NSCLCs) and about 30% of lung adenocarcinomas, with the most common mutation beingat codon 12. This study aimed to determine the binding reaction between diterpene-type cembranoidcompounds from tobacco leaves (Nicotiana tabacum L.) and KRAS in human lung cancer. We foundthe presence of a cembranoid-type diterpene active compound in the form of thunbergol (C20H34O)with Gas Chromatography and Mass Spectroscopy (GC-MS) examination. Based on the resultsof molecular docking, it was found that the diterpene-type cembranoid ligand binds to the KRASreceptor with a yield of G -7.0 kcal/mol, pKi 7.35 M, one hydrogen bond with type ILE36 (1,937 Å).In conclusion, diterpene-type cembranoid can be considered an anticancer compound because of themolecular interaction with cembranoid-type diterpene through cell proliferation and differentiationpathways, as well as apoptosis.
Co-Authors Afelita, Tia Afif Fadhilah Irsyad Afifah Endah Dwi Purianti Ainur Rofiq Ainur Rofiq Aisyah Salsabila Alamsyah, Tegar Alfarisi, Bunail Isna Amanda Farra Assyfah Aminuyati Amira Fazhira Ance Roslina ANNISA . ANNISA FITRI HENDEWI Annisa Rifqa Hestiana Annissa Ambaravista Nasution Atika Dwiyanti Atika Rahmi Atmaja, Pramudia Barasa, Neza Farach Addiba Berkah Tania Sawitri Bunail Isna Alfarisi Ceri Permata Ayuni Charisma Yani Roza Cindy, Tiara Safira Cindykia, Assyifa DEA YULIA LUBIS Delyuzar, Delyuzar Des Suryani Des Suryani DEWI AGUSTIN HAKIM HARAHAP Dilma Ayu Khairani DIWA AULIA AHMAD Dwiyanti, Atika Fadillah, Akram Fadlina, Shofiah Dina Fayyaza, Nesya Alya Filzah, Rahmah Fitri Nur Malini Frina Aeni Putri Galang Ramadhan Hasanah, Nurul HENDRA SUTYSNA Herian, M. Fauzan Alfatin Hervina, Hervina Hestiana, Annisa Rifqa Hidayatullah, Muhammad Rafli HSB, Fatur M Ahmad IBNU AFIF ARMADI Ilham Hariaji Indyra Mahrani Lubis Irsyad, Afif Fadhilah Islami, M. Dian Isnaini Ulfa Jamilah, Qurratu Kasturi KARTIKA HANDAYANI Kesuma, Ilham Jaya KHAIRATUL FITHRIYAH Kirana Arum Indra Laden Laden, Laden LITA SEPTINA Lubita, Mardiyah M. Dian Islami Malini, Fitri Nur MEIZLY ANDINA Muhammad Al Anas Muhammad Farouq Hilmi Harahap Muhammad Fathurridha Arabia Salim Muhammad Rafli Hidayatullah Muhammad Zikri Agung Ramadhan Muhammad Zulfikar Karim Chan Nasution, Annissa Ambaravista Nasution, Reyhan Khaira Helmita Nesya Alya Fayyaza Noviardy, Arya Nurcahaya Sinaga Nurfadly, Nurfadly Oche Axena Yulhan Purwoningsih, Emni Qatrunnada Medina Salim Qatrunnada Medina Salim Rafa Nabila Haifa Rafa Nabila Haifa Rahma Rifda F.S. Lubis Rahmah Filzah Raihana Zavira Ramadhan, Galang Ramadhan, Reza Mukti Ratih Yulistika Utami RIFQY IMSYA AL AYYUBI LUBIS Rizkitha Martono Putri Rizky Yusfasari Robitah Asfur Salsabila, Aisyah Salsabila, Salsabila Sari, Indah Permata Sembiring, Khairul Rasyid Septiady, Teuku Baihaqi Shaik Hussain, Basrah Bee Binte SITI MIRHALINA Siti Mulyani Sitompul, Asma Dwi Nantika Sri Rezeki Arbaningsih Tania Mulia Utami Tegar Alamsyah Teuku Baihaqi Septiady USWATUL KHOIROT Utami, Tania Mulia Widya Yustika Yulhan, Oche Axena Yusmawati Yusran Yustika, Widya Zavira, Raihana Zulkarnain, Rizki Chairani