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Journal : Journal of Engineering Science and Technology Management

Prediction of Activity Spectra for Substances (PASS) Technology From Sambung Nyawa (Gynura procumbens (Lour) Merr) Saristiana, Yuneka; Prasetyawan, Fendy; Savitri, Lisa
Journal of Engineering Science and Technology Management (JES-TM) Vol. 5 No. 1 (2025): Maret 2025
Publisher : Journal of Engineering Science and Technology Management

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/jestm.v5i1.206

Abstract

This study investigates the activity of various compounds as inhibitors, enhancers, agonists, antagonists, and substrates in biochemical pathways. The results indicate that the highest activity is observed in chlordecone reductase inhibition (Pa: 0.984, Pi: 0.001), followed by HIF1A expression inhibition (Pa: 0.969, Pi: 0.002) and membrane integrity agonist activity (Pa: 0.968, Pi: 0.002). Notably, several compounds exhibit significant inhibitory effects on enzymes such as peroxidase (Pa: 0.966), kinase (Pa: 0.958), and NADPH oxidase (Pa: 0.939). Additionally, CYP1A substrates and inducers demonstrate relevant metabolic interactions, indicating potential roles in drug metabolism. These findings provide insights into the pharmacological significance of these compounds, which may contribute to the development of novel therapeutic agents.
Description of Absorption Distribution Metabolism Excretion Toxicity (ADMET) of Nuciferine from Terate Flowers (Nymphaea spp.) using pkCSM Technology Prasetyawan, Fendy; Saristiana, Yuneka; Kadir, Mujtahid Bin And; Savitri, Lisa; Salmasfattah, Novyananda; Fadel, Muhammad Nurul; Besan, Emma Jayanti
Journal of Engineering Science and Technology Management (JES-TM) Vol. 5 No. 1 (2025): Maret 2025
Publisher : Journal of Engineering Science and Technology Management

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/jestm.v5i1.207

Abstract

This study evaluates the ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profile of nuciferine to assess its potential as a drug candidate. Based on in silico analysis, nuciferine demonstrates favorable oral absorption and extensive systemic distribution, including its capability to cross the blood-brain barrier into the central nervous system. Regarding metabolism, the compound acts as a substrate for CYP2D6 and CYP3A4 enzymes while serving as an inhibitor of CYP1A2 and CYP2D6, which may lead to drug-drug interactions. In terms of excretion, nuciferine displays moderate clearance values and utilizes renal transporter OCT2. However, toxicological evaluations suggest potential risks, including mutagenicity (positive AMES test), hepatotoxicity, and inhibition of hERG II potassium channels, which are associated with cardiotoxicity risks. Despite its favorable bioavailability and distribution properties, concerns about chronic toxic effects and metabolic interaction risks underscore the need for careful consideration in its development. Further research is necessary to validate its safety and efficacy for therapeutic applications.
Co-Authors Abd Rofiq Abd Rofiq Abd Rofiq Abd Rofiq Achmad Wahdi Adiyansyah Lukman Hakim Adiyansyah Lukman Hakim Akhmal Muslikh, Faisal Alshol, Mohammad Firdaus Althaf Rajahala B Sinun Amanda, Cornelia Ana Amalia Anis Akhwan Dhafin Anis Akhwan Dhafin Anis Akwan Dhafin Anita Dwi Setyarini Anita Dwi Setyarini Arifani Siswidiasari Arikha Ayu Susilowati Arsiaty Sumule Ary Kristijono Ary Kristijono Asrizal Azis Astutik, Widhi Azis, Asrizal Baarik Lana Fadli Bandhi Prasetya Nugroho Bandhi Prasetya Nugroho Besan, Emma Jayanti Candra Arifin Chandra Arifin Chandra Arifin Chandra Arifin Chandra Arifin Charliandri Saputra Wahab Datin An Nisa Sukmawati Deo Rudita Febrian Waly Dewi Retno Puspitosari Dian Permatasari, Yunita Edda, Ilda Rambu Eka Hayati Rhomah Eka Nur Fatmawati Elfred Rinaldo Kasimo, Elfred Rinaldo Elsa Mahardika Putri Elsa Mahardika Putri Ema Jayanti Besan Ema Tri Wulan Emma Jayanti Besan Faisal Akhmal Faisal Akhmal Muslihk Faisal Akhmal Muslikh Faisal Akhmal Muslikh Faisal Akhmal Muslikh Febriana, Laela Fendy Prasetyawan Freitas, Maria Do Carmo Da Costa Hasriyani Hasriyani Hasriyani, Hasriyani Herman Ibrahim Fadlannul Haq Ibrahim Irsyadul Ibad Ibrahim Iskandar Alfaris Ilhawa Zahra Ilhawa Zahra Imran, Arlan K Indrayanti, Dian Isma Oktadiana Isma Oktadiana Juwita, Syntia Tanu Kadir, Mujtahid Bin Abd Kadir, Mujtahid Bin And Karingga, Devangga Darma Kholis, Muhammad Akbar Nur Laili , Nur Fahma Laili, Nur Fahma Leny Witaning Kusumati Lily Aina Lusiana Aprillia M. Wahyu Ariawan Marhenta, Yogi Bhakti Mebung, Konradus Klala Megasari, Elly Meri, Meri milda, ratna Mildawati, Ratna Mildwati, Ratna Muhammad Alviyan Shutiawan Muhammad Nurul Fadel Mujtahid Bin Abd Kadir Muslihk, Faisal Akhmal Nanda Ardianto Nanda Ardianto Nanda Ardianto Neni Probosiwi Nimas Ayu Rahardini Nina Nur Jannah Nisa Azzahra Dentika Novyananda Salmasfattah Novyananda Salmasfattah Nur Fahma Laili Octavian Ashido Nababan Octavian Ashido Nababan Okky Intan Mawarni Oktadiana, Isma Prayoga Fery Yuniarto Probosiwi , Neni Ratna Mildawati Ratna Mildawati Ratna Mildawati Ratna Mildawati Ratna Mildawati Ratna Mildawati Restyana, Anggi Rhomah, Eka Hayati Rika Wahyu Pujiastini Rochmad Krissanjaya Rofiq, Abd Rohmah, Eka Hayati Salmasfattah, Novyananda Salmasfattah, Novynanda savitri, Lisa Shinta Mayasari Shinta Mayasari Sugeng, Santoso Sukmawati , Datin An Nisa Susilo Margining Raharjo Tri Wulan, Ema Tsamrotul Ilmi Wahyu Ariawan Widhi Astutik Winartiana Wisnu Haryo Widyoko Wulan, Ema Tri Yanti, Novirma Yogi Bhakti Marhenta Yunita Dian Permatasari Yunita Dian Permatasari