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