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Journal : Berkala Kedokteran

Potential of Chemical Compounds from Coloring Plants (Stenochlaena palutris) as Competitors for ALK Protein Damage Due To Pesticide Exposure: In Silico Study Sarmila, Sarmila; Nafisah, Nafisah; Habibah, Hanna; Saputri, Indah; Setiawati, Indah; Komari, Noer
Berkala Kedokteran Vol 19, No 2 (2023)
Publisher : Fakultas Kedokteran Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jbk.v19i2.17415

Abstract

Pesticide active ingredients have widespread toxicity effects on target and non-target organisms. Continuous exposure to pesticides causes cancer. Kelakai is thought to have potential cytotoxic activity against the growth of cancer cells. The aim of this research is to examine the potential activity of chemical compounds on Anaplastic Lymphoma Kinase (ALK) proteins exposed to organophosphate pesticides in silico. Protein and ligand preparation with the Chimera program, Docking using SwissDock, as well as virtual screening using the pkCSM web and ProTox. Ethion and neophytadiene have the most negative ∆G values of -8.62 kcal/mol and -8.39 kcal/mol, respectively. The binding site for ethion and neophytadiene compounds with the ALK protein is right at the active site of the ALK protein. Ethion is the most toxic organophosphate pesticide and has the potential to be cytogenic. Neophytadiene from kelakai compounds has the potential to act as a competitor in inhibiting the ALK protein. The similarity in the type and number of binding residues in ethion and neophytadiene in the ALK protein indicates competition between ethion and neophytadiene.
Co-Authors Adika, Moh. Noor Adiningrum, Aqilah Rahma Adis Sefhira Adnan, Gaida Khaerani Afdella, Nor Afni Ainni Ainni Ainun Ratna Sari Aisya, Rihadatul Alexsyah, Fakhri Dwi Alifiyah, Netika Ambarani, Siti Maryam Anindya, Puan Ansyah, Gina Ayu An’nisa, Windy Sidratul Ardiansyah Ardiansyah Asana, Mahila Ashari, Salsabila Zahra Asih Purwanti Maulana Aulidya Nurul Habibah Azha, Nadia Fadillah Aziz, M. Zalili Azizah, Novita Khusna A’idah, Reza Nur Bambang Soemanto Bambang Soemanto Bambang Sumanto Chinta, Tenri Ayuni Ratna Ade Choiruna, Hasby Pri Dandi Agustian Pratama Dandi Agustian Pratama Dewanti, Nasywaa Aulia Dindy Darmawati Putri Dwi Fitriyani, Dwi Eka Purna Yudha Elsa Muflihah Emy Khikmawati Habibah, Hanna Hanna Habibah Herdiana, Indra Heri Wibowo Herlanda, Quinta Aurel Husna, Ventriannisa Habita Husniah Husniah Ibrahim, Muhammad Kholid Ika Dahlia Ilmi, Marsay Ahsani Indah Saputri Indah Widyarini Indrafata, Arga Aryanta Innayah Choerun Nisa Irene Kartika Eka Wijayanti Islamay, Febriana Nur Istiqomah, Vina Helmi Nur Jannah, Lizvy Khanifatul Khairani, Dianrina Fatiha Khairun Nisa Khalilla, Belvina Nazarina Khawarizmi, Muhammad Nugrahhadi Al Khoerunnisa, Sani Kurniawati, Marlina Kusnaman, Djeimy Kusuma, Ailsa Seca Listiyowati, Asih Lusi Fatmawati Luthfi Kasyfillah Maharani, Fatikha Syera Mahfuroh, Lailatul Maspudah, Ai Munawaroh Sa’adatul Mela, Ervina Mila mila Mubarok, Farras Fatkhil Mufti Lutfiani Fitri Muhammad Jumadin Noor Mukarramah Mukarramah, Mukarramah Musyarifah, Musyarifah Muttaqin, Akmal Ryan Nadia Rismala Dewi Nafingah, Siti Nafisah Nafisah Nafisah Nafisah Najmi, Fathi Noer Komari Novitasari, Sandra Nugroho, Qonitah Hauna Nuraini, Linda Aulia Okti Herliana Panjaitan, Adrian Pepita Haryanti Pertiwi, Syakila Ananda Pramana, Suharmawan Daffi Pratam, Jovan Aditya Dilly Pratama, Jovan Aditya Dilly Pratama, Muhammad Faza Puan Anindya, Puan Anindya Puspita, Stevania Widya Putri, Khairina Rahmania Prayoga Putri, Laely Anugrah Rabiah Al-Adawiyah Rahmansyah, Sofyan Herlambang Rahmawati, Rintan Rahmi, Yasmin Aulia Raihan Nadhir Ramadhan, Indah Resa Ana Dina Reza Nadia Riandi, Irnanda Naufal Rifki Andi Novia Ritami, Lina Rochim, Muchammad Bagas Rosi Widarawati Saefudin, Dea Merliyani Sakinah, Farha Azzah Salsabila, Jadwa Salsabila, Nisrina Khoirunnisa Sandi, Kurnia Saputri, Indah Sari, Fitri Ayu Puspita Sarmila Sarmila Sarmila, Sarmila Sejati, Rafi Ashza Setyaningsih, Amanda Eka Shafina, Keisha Sri Fatimah Sukma, Aura Zahra Rahmany Syaefulloh, Syafaat Syahrullah, Yudi Teguh Jati Prasetyo Triana, Uut Ela Trilatifah, Fatmah Zahra, Ridha Aisya Zulkifli, Lutfi