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savitri, Lisa
Universitas Kadiri
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Journal : Journal of Engineering Science and Technology Management

 1 
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 Afrilla, Rananda Agung Dwi Wahyu Widodo Agustanti, Khalimatus Nur Eka Alimansur, Moh Alves, Silvina Sandra X. Amanda, Cornelia Aminah Alfiani Ana Retnowati Antoro, Ester Lianawati Arif Budi Setiawan Besan, Emma Jayanti Datin An Nisa Sukmawati Dhony Hermanto Edda, Ilda Rambu Eka Wahyuningtiyas Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo, Elfred Rinaldo Elly Megasari Ester Lianawati Antoro Ester Lianawati Antoro Ester Lianawati Antoro Ester Lianawati Antoro Evi Laela Sari Farabi, Meka Faizal Fendy Prasetyawan Fitri, Devi Nor Freitas, João Gregório Freitas, Maria Do Carmo Da Costa Herman Hilmi, Mochamad Hanif Hilmi, Mochammad Hanif Ida Septika Wulansari Ida Septika Wulansari Ida Septika Wulansari Ida Septika Wulansari Ihsan, Kharisul Indrayanti, Dian Iza Dwi Muslikha Juan Vega Mahardhika Juwita, Syntia Tanu Kadir, Mujtahid Bin Abd Kadir, Mujtahid Bin And Kasimo, Elfred Khalimatus Nur Eka Agustanti Kharisul Ihsan Kholis, Akbar Nur Kholis, Muhammad Akbar Nur Laili, Nur Fahma La’ally Maula Lian Pandu Farendra Loviana, Novi Mahardika, Juan Vega Maria Do Carmo Da Costa Freitas Masyhuri, Aga Adi Mebung, Konradus Klala Megasari, Elly Meri, Meri Mika Tri Kumala Swandari, Mika Tri Kumala Mosse1, Yosep Muhammad Nurul Fadel Muslikha, Iza Dwi Neni Probosiwi Novyananda Salmasfattah Novyananda Salmasfattah Nur Fahma Laili Nur Fahma Laili Nurul Ismillayli Ornai, Andre Mario Sequeira Alves Rasyadan Taufiq Probojati Renaldi Umbu Ndamung Kale Restyana, Anggi Restyana, Anggy Retnowati, Ana Rochmad Krissanjaya Rochmad Krissanjaya Salmasfattah, Novyananda Sanjaya, Rochmad Kris Shinta Mayasari Shinta Mayasari Sueb Sugeng Santoso Syntia Tanu Juwita Syntia Tanu Juwita Syntia Tanu Juwita Syntia Tanu Juwita Syntia Tanu Juwita Tiyas, Eka Wahyuning Tridoso Sapto A Tsamrotul Ilmi Willy Sandhika Wulansari, Ida Septika Yanti, Novirma Yosep Mosse yunadi, frisca dewi Yuneka Saristiana