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All Journal Majalah Farmaseutik JMM (Jurnal Masyarakat Mandiri) CERATA Jurnal Ilmu Farmasi Jurnal Abdi Insani HERBAPHARMA : Journal of Herb Farmacological Indonesian Journal of Global Health research Jurnal Kesehatan Tambusai Nusantara Hasana Journal Jurnal Impresi Indonesia Prosiding University Research Colloquium Jurnal Abdimas Indonesia Journal of Engineering Science and Technology Management Business and Economic Publication CERATA Advances in Healthcare Research IJF (Indonesia Jurnal Farmasi) Journal of Social Science and Multidisciplinary Analysis SEARCH: Science Education Research Jurnal Informatika dan Kesehatan Galen: Jurnal Ilmu Farmasi dan Kesehatan Multicore International Journal of Multidisciplinary (MIJM)
Muhammad Nurul Fadel
Universitas Muhammadiyah Kudus
Religion Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Dentistry Economics, Econometrics & Finance Education Electrical & Electronics Engineering Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Mathematics Medicine & Pharmacology Neuroscience Nursing Public Health Social Sciences Veterinary Other

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Journal : Multicore International Journal of Multidisciplinary (MIJM)

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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 ABDUL ROKHMAN Adhimi, Cici Sayyidatul Ahmad Kholis Ahmad Kholis Akbar Seno Syafriansyah Akhyasin Akhyasin Alya Narulita Andriyani, Yunita Ardianto, Nanda Arif Fahrudin Arif, Fahrudin Astutik, Widhi Ayuningsih, Safitri Besan, Ema Jayanti Besan, Emma Jayanti Besan, Ulfa Nabila Bintari Tri Sukoharjanti Chandra Arifin Charliandri Saputra Wahab Dahbul, Nura Ali Dameria, Gempita Hutami Eko Retnowati Emma Jayanti Besan Emma Jayanti Besan Endang Setyowati Endang Setyowati Endang Setyowati Fahrudin Arif Faisal Akhmal Muslikh Febriana, Laela Febrianisa, Sabila Fendy Prasetyawan Firdyansyah, Diah Aprilia Fitri Apriliani Fitri Apriliani Fransisca Dita Mayangsari GALIH KURNIAWAN Hamzah, Hasyrul Hasriyani Hasriyani, Hasriyani Husna, Ulviani Yulia Ika Mulyasari Imtiyaaz, Moh Thaariq Zelda Intan Adevia Rosnarita Intansari Setyaningrum Irawati Indrianingrum Irvan Shahrul Hidayat Julia Megawati Djamal Kadir, Mujtahid Bin And Khudzaifi, Muhamad Lailatul Farikah Lathifatun Nida Noor M. Wahyu Ariawan Manik, Nirmala Mega Putri Utami Mildawati, Ratna Muhamad Khudzaifi Muhammad Abdul Rozaq Muhammad Alviyan Shutiawan Muhammad Khudzaifi Muhammad Lathoiful Minan Muhammad Zielal Askari Mulyasari, Ika Mustaanah, Aulia Nur Negara, Sri Bintang Sahara Mahaputra Kusuma Nihayatus Sholekhah Nirmala Manik Noor, Lathifatun Nida Nurin, Eka Filza Nurul Huda Oktadiana, Isma Presticasari, Hardiyani Rahma, Siti Sofia Rahmawati, Izda Ratna Mildawati Rhomah, Eka Hayati Ridwanto, Muhammad Rika Wahyu Pujiastini Rofiq, Abd Rosnarita, Intan Adevia Sabaan, Wahid Sakti, Aditya Sindu Salmasfattah, Novyananda Salmasfattah, Novynanda Salsabila Khairunnisa savitri, Lisa Setianingsih, Elfrida Rosselly Sholekhah, Nihayatus Siti Mutamimah, Siti Tsamrotul Ilmi Ummi Nurus Salamah Utami, Mega Putri Viren Ramadhan Wijaya, Nadela Wahyu Yuliasari, Aulia Wahyu Yulis Trinovitawati Yuneka Saristiana Zahra, Ilhawa Zuhri, Mukhammad Syaifuddin