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All Journal PHARMACON Biology, Medicine, & Natural Product Chemistry Jurnal Ilmiah Universitas Batanghari Jambi Jurnal Inovasi Farmasi Indonesia Abdimas Galuh: Jurnal Pengabdian Kepada Masyarakat Well Being PHARMACOLOGY, MEDICAL REPORTS, ORTHOPEDIC, AND ILLNESS DETAILS (COMORBID) Jurnal Lentera International Journal of Science and Environment Journal of Engineering Science and Technology Management Business and Economic Publication Jurnal Ilmiah Multidisiplin Indonesia Komunita: Jurnal Pengabdian dan Pemberdayaan Masyarakat Jurnal Media Akademik (JMA) Assoeltan: Indonesian Journal of Community Research and Engagement Contemporary Journal of Applied Sciences (CJAS) Journal of Social Science and Multidisciplinary Analysis Jurnal Intelek Insan Cendikia SEARCH: Science Education Research Gotong Royong Jurnal Pengabdian Kepada Masyarakat Al-Amin Interaksi : Jurnal Pengabdian Kepada Masyarakat Jurnal Informatika dan Kesehatan International Journal of Contemporary Sciences (IJCS) Jurnal Bioteknologi & Biosains Indonesia (JBBI) Khidmah Nusantara J-CEKI Joong-Ki Amaluna: Jurnal Pengabdian Masyarakat Galen: Jurnal Ilmu Farmasi dan Kesehatan Journal Health of Indonesian HelFin Journal Multicore International Journal of Multidisciplinary (MIJM) International Journal of Science and Society (IJSS) Jurnal Kajian dan Inovasi Ilmu (JKII) Mitra Jurnal Pengabdian Masyarakat Multidisiplin (MJPMM) JES-TM Social and Community Service Abdimas Paspama Jurnal Bioteknologi & Biosains Indonesia
Yuneka Saristiana
Prodi Pendidikan Profesi Apoteker, Fakultas Ilmu Kesehatan, Universitas Kadiri
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Journal : Multicore International Journal of Multidisciplinary (MIJM)

 1 
Prediction of Sinensetin from Kumis Kucing (Orthosiphon aristatus) as Aspulvinone Dimethylallyltransferase Inhibitor for Anticancer Agent Prasetyawan, Fendy; Arifin, Chandra; Astutik, Widhi; Rohmah, Eka Hayati; Kadir, Mujtahid Bin Abd; Ariawan, M Wahyu; Marhenta, Yogi Bhakti; Mildawati, Ratna; Saristiana, Yuneka; Rofiq, Abd
Multicore International Journal of Multidisciplinary (MIJM) Vol. 1 No. 1 (2025): May
Publisher : Marasofi International Media and Publishing (MIMP)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.64123/mijm.v1.i1.3

Abstract

Sinensetin, a polymethoxylated flavone found in Orthosiphon aristatus (commonly known as Kumis Kucing), was evaluated in silico for its potential inhibitory activity against Aspulvinone Dimethylallyltransferase, an enzyme implicated in cancer-related biosynthetic pathways. The SMILES structure of sinensetin was retrieved from PubChem and analyzed using the PASS online prediction tool (www.way2drug.com). The results showed a high probability of activity (Pa = 0.865) and a very low probability of inactivity (Pi = 0.016), indicating that sinensetin is likely to act as a potent inhibitor of the enzyme. These findings suggest that sinensetin could be a promising anticancer agent candidate by targeting Aspulvinone Dimethylallyltransferase. Further studies are recommended to validate this prediction through molecular docking and biological assays.
Prediction of Scabertopin from Tapak Liman (Elephantopus scaber) for Antileukemic Saristiana, Yuneka; Prasetyawan, Fendy; Salmasfattah, Novynanda; Ilmi, Tsamrotul; Fadel, Muhammad Nurul; Besan, Emma Jayanti
Multicore International Journal of Multidisciplinary (MIJM) Vol. 1 No. 1 (2025): May
Publisher : Marasofi International Media and Publishing (MIMP)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.64123/mijm.v1.i1.5

Abstract

Leukemia remains a significant global health challenge, necessitating the exploration of novel therapeutic agents with improved efficacy and safety profiles. Elephantopus scaber (commonly known as Tapak Liman) is a medicinal plant traditionally used for various ailments, including cancer. Scabertopin, a sesquiterpene lactone isolated from E. scaber, has attracted scientific interest due to its potential antileukemic properties. This study aims to predict the antileukemic activity of Scabertopin through an in silico approach. The compound's chemical structure was retrieved in SMILES format from the PubChem database and analyzed using the PASS (Prediction of Activity Spectra for Substances) online tool. The prediction results indicated a high probability of antileukemic activity, with a Pa (probability of activity) value of 0.822 and a Pi (probability of inactivity) value of 0.004. These findings suggest a strong likelihood that Scabertopin exhibits antileukemic effects, supporting its potential as a candidate for further pharmacological and clinical investigations. The use of computational prediction tools provides an efficient and cost-effective preliminary screening method for identifying promising bioactive compounds from natural sources. This study contributes valuable insights into the therapeutic potential of Scabertopin and highlights the importance of traditional medicinal plants in drug discovery for leukemia treatment.
Pharmacokinetics and Druglikeness of Amoxicillin Drug using SwissADME Prasetyawan, Fendy; Saristiana, Yuneka; Mildawati, Ratna; Rhomah, Eka Hayati; Fadel, Muhammad Nurul; Besan, Emma Jayanti
Multicore International Journal of Multidisciplinary (MIJM) Vol. 1 No. 2 (2025): November
Publisher : Marasofi International Media and Publishing (MIMP)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.64123/mijm.v1.i2.3

Abstract

Amoxicillin, a widely utilized semi-synthetic penicillin derivative, remains a cornerstone in treating various bacterial infections. Despite its extensive clinical application, a comprehensive in silico assessment of its pharmacokinetic and "druglikeness" properties using modern computational tools can provide valuable complementary insights. This study employed the SwissADME web platform to meticulously analyze the computed descriptors, physicochemical characteristics, ADME profile, druglikeness, and medicinal chemistry aspects of amoxicillin. The chemical structure of amoxicillin, represented by its SMILES string, was retrieved from the PubChem database and subsequently input into SwissADME for analysis. The results indicate that amoxicillin possesses a molecular weight of 365.40 g/mol and a hydrophilic nature, as evidenced by its consensus LogP value of -0.39 and high water solubility predictions. Its Topological Polar Surface Area (TPSA) is 158.26 Ų, and it contains 4 hydrogen bond donors and 6 hydrogen bond acceptors. While the in silico prediction for gastrointestinal (GI) absorption was "Low" (likely due to the high TPSA and hydrophilicity, suggesting reliance on active transport mechanisms in vivo), amoxicillin fully complies with Lipinski's Rule of Five, indicating good oral bioavailability potential. Furthermore, it is predicted not to permeate the Blood-Brain Barrier (BBB) and shows no inhibitory activity against major CYP450 enzymes (CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4) or P-glycoprotein, minimizing potential drug-drug interactions. The absence of PAINS and Brenk alerts signifies a clean chemical profile regarding assay interference and toxicity flags. Although some stricter druglikeness filters were violated due to its polar nature, amoxicillin's overall in silico profile, combined with its established clinical efficacy, highlights the complex interplay of physicochemical properties and biological transport mechanisms. This study reaffirms amoxicillin's favorable attributes from a computational perspective, serving as a valuable reference for understanding established antibiotics and guiding future antimicrobial design.
Co-Authors Abd Rofiq Achmad Wahdi Adiyansyah Lukman Hakim Akhmal Muslikh, Faisal Akhmal, Faisal Alshol, Mohammad Firdaus Althaf Rajahala B Sinun Amanda, Cornelia Ana Amalia Anis Akhwan Dhafin Anis Akhwan Dhafin Anis Akwan Dhafin Anita Dwi Setyarini Ardianto, Nanda Arifani Siswidiasari arikha ayu susilowati Arsiaty Sumule Ary Kristijono Asrizal Azis Astutik, Widhi Azis, Asrizal Baarik Lana Fadli Bandhi Prasetya Nugroho Besan, Ema Jayanti Besan, Emma Jayanti Candra Arifin, Candra Chadra 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 Tri Wulan Emma Jayanti Besan Faisal Akhmal Muslihk Faisal Akhmal Muslikh Faisal Akhmal Muslikh Febriana, Laela Fendy Prasetyawan Freitas, Maria Do Carmo Da Costa Hakim, Adiyansyah Lukman Hasriyani Hasriyani Hasriyani, Hasriyani Herman Ibrahim Fadlannul Haq Ibrahim Irsyadul Ibad Ibrahim Iskandar Alfaris Ilhawa Zahra Imran, Arlan K Indrayanti, Dian Isma Oktadiana Juwita, Syntia Tanu Kadir, Mujtahid Bin Abd Kadir, Mujtahid Bin And Karingga, Devangga Darma Kholis, Muhammad Akbar Nur Khumaini, Eko Hidayaturrohman Kristjono, Ary 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 Neni Probosiwi Nimas Ayu Rahardini Nina Nur Jannah Nisa Azzahra Dentika Novyananda Salmasfattah Novyananda Salmasfattah Nur Fahma Laili Octavian Ashido Nababan Okky Intan Mawarni Oktadiana, Isma Prasetyo Nugroho, Bandhi Prayoga Fery Yuniarto Probosiwi , Neni Putri, Elsa Mahardika Raharjo, Susilo Margining 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 Widhi Astutik Winartiana Wisnu Haryo Widyoko Wulan, Ema Tri Yanti, Novirma Yogi Bhakti Marhenta Yunita Dian Permatasari Zahra, Ilhawa