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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 Adiyansyah Lukman Hakim Akhmal Muslikh, Faisal Alshol, Mohammad Firdaus Althaf Rajahala B Sinun Althaf Rajahala B Sinun Alves, Silvina Sandra X. Amanda, Cornelia Ana Amalia Anak Agung Indah Krisnadewi Anis Akhwan Dafin Anis Akhwan Dhafin Anis Akhwan Dhafin Anis Akwan Dhafin Anita Dwi Setyarini Anita Dwi Setyarini Arifani Siswidiasari Arikha Ayu Susilowati Arista Wahyu Ningsih Arsiaty Sumule Ary Kristijono Ary Kristijono Asih Widiyastuti Asrizal Azis Astutik, Widhi Ayu Angger Putri M. Soleh Azis, Asrizal Baarik Lana Fadli Bandhi Prasetya Nugroho Bandhi Prasetya Nugroho Bandhi Prasetyo Nugroho Besan, Emma Jayanti Burhan Ma'arif Burhan Ma’arif Candra Arifin Chandra Arifin Chandra Arifin Chandra Arifin Chandra Arifin Charliandri Saputra Wahab Datin An Nisa Sukmawati Deo Rudita Febrian Waly Deo Rudita Febrian Waly Dewi Retno Puspitosari Dian Permatasari, Yunita Dyah Aryantini, Dyah Edda, Ilda Rambu Eka Hayati Rhomah Eka Nur Fatmawati Eko Hidayaturrohman Khumaeni Elfred Rinaldo Kasimo, Elfred Rinaldo Elsa Mahardika Dhafin Elsa Mahardika Putri Elsa Mahardika Putri Elsa Mahardika Putri Ema Jayanti Besan Ema Tri Wulan Emma Jayanti Besan Erawati, Dyah Anisa Indri Evi Nurul Hidayati Faisal Akhmal Faisal Akhmal Muslihk Faisal Akhmal Muslikh Faisal Akhmal Muslikh Faisal Akhmal Muslikh Faisal Akhmal Muslikh Faisal Akhmal Muslikh Faisal Akhmal Muslikh Febriana, Laela Fita Sari Fita Sari, Fita Fitrani Khansa Fitria Apriliyani Fitriani, Evi Tunjung Freitas, Maria Do Carmo Da Costa Gempita Hutami Dameria Gunawan Pamudji Widodo Hamzah, Hasyrul Hasriyani Hasriyani Hasriyani Hasriyani Hasriyani, Hasriyani Herman Hilmi, Mochammad Hanif Ibrahim Fadlannul Haq Ibrahim Irsyadul Ibad Ibrahim Iskandar Alfaris Ika Purwidyaningrum Ilhawa Zahra Ilhawa Zahra Imran, Arlan K Indrayanti, Dian Iramadona, Putri Ayu Isma Oktadiana Isma Oktadiana Ivan Junius Mesak Juan Vega Mahardhika Juwita, Syntia Tanu Kadir, Mujtahid Bin Abd Kadir, Mujtahid Bin And Karingga, Devangga Darma Kholis, Muhammad Akbar Nur Kurniawati, Evi Laili, Nur Fahma Leny Witaning Kusumati Lilik Koernia Wahidah Lily Aina Lusiana Aprillia M. Wahyu Ariawan Maharani Dwi Pratiwi Marhenta, Yogi Bhakti maswan daulay Mebung, Konradus Klala Megasari, Elly Meri, Meri milda, ratna Mildawati, Ratna Mildwati, Ratna Muhammad Alviyan Shutiawan Muhammad Alviyan Shutiawan Muhammad Alviyan Shutiawan Muhammad Nurul Fadel Mujtahid Bin Abd Kadir Muslihk, Faisal Akhmal Muslikh, Faisal Nanda Ardianto Nanda Ardianto Nanda Ardianto Neni Probosiwi Nimas Ayu Rahardini Nina Nur Jannah Nisa Azzahra Dentika Novyananda Salmasfattah Novyananda Salmasfattah Novyananda Salmasfattah Nur Fahma Laili Nura Ali Dahbul Octavian Ashido Nababan Octavian Ashido Nababan Okky Intan Mawarni Okky Intan Mawarni okta, isma Oktadiana, Isma Permata, Agung Prayoga Feri Yuniarto Prayoga Fery Yuniarto Prayogi, Syaiful Purnomo Puspitosari, Dewi Retno Ratna Mildawati Ratna Mildawati Ratna Mildawati Ratna Mildawati Ratna Mildawati Ratna Mildawati Ratno Setyobudi Restyana, Anggi Rhomah, Eka Hayati Rika Wahyu Pujiastini Rochmad Krissanjaya Rofiq, Abd Rohmah, Eka Hayati Rosa Juwita Hesturini Salim Efendy Salmasfattah, Novyananda Salmasfattah, Novynanda savitri, Lisa Setyawan, Ferdinta Daniasta Shinta Mayasari Shinta Mayasari Siti Nur Maulita Sugeng Rianto Sugeng, Santoso Susilo Margining Raharjo Syendriva Zeptyan Zenmas Syntia Tanu Juwita Tri Wulan, Ema Tsamrotul Ilmi Wahab, Charliandari Saputra Wahyu Ariawan Widhi Astutik Winartiana Winartiana, Winartiana Wisnu Haryo Widyoko Wulan, Ema Tri Yanti, Novirma Yogi Bhakti Marhenta Yosep Mansen Sado Yosep Mosse Yuneka Sarisitiana Yuneka Saristiana Yunita Dian Permatasari Yunita Dian Permatasari