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All Journal Jurnal Veteriner Biology, Medicine, & Natural Product Chemistry Journal of Natural Sciences and Mathematics Research Abdimas Galuh: Jurnal Pengabdian Kepada Masyarakat Jurnal Abdimas Ilmiah Citra Bakti (JAICB) SIMBIOSA Jurnal Pijar MIPA BIO-CONS: Jurnal Biologi dan Konservasi Jurnal Bioteknologi & Biosains Indonesia (JBBI) Jurnal Bioteknologi & Biosains Indonesia
Rochmad Krissanjaya
Department Of Medical Laboratory Technology, Faculty Of Health Sciences, Kadiri University, Jalan Selomangleng No. 1, Kediri, East Java, Indonesia
Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Energy Environmental Science Health Professions Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Nursing Physics Public Health Social Sciences Veterinary

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In Silico Molecular Docking and ADMET Evaluation of Active Compounds from Acalypha indica L. Against the HER2 Breast Cancer Target Savitri, Lisa; Ihsan, Kharisul; Kasimo, Elfred Rinaldo; Krissanjaya, Rochmad
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.45-51

Abstract

Breast cancer is one of the leading causes of cancer-related mortality in women worldwide, and overexpression of human epidermal growth factor receptor 2 (HER2) is associated with aggressive tumor progression, poor prognosis, and treatment resistance. Natural compounds are increasingly explored as safer anticancer candidates due to their structural diversity and lower toxicity profiles. Acalypha indica L., a traditional medicinal plant widely used in Asia, contains numerous phytochemicals with reported antioxidant and cytotoxic activities. This study investigates the binding affinity and pharmacokinetic potential of major A. indica phytochemicals against HER2 using in silico molecular docking and ADMET predictions. Twelve bioactive compounds were selected: quercetin, kaempferol, luteolin, rutin, isoquercitrin, caffeic acid, ferulic acid, esculetin, lupeol, beta-sitosterol, stigmasterol, and acalyphin. Docking was performed using AutoDock Vina against HER2 (PDB ID: 3PP0). Kaempferol (-10.2 kcal/mol), quercetin (-9.8 kcal/mol), and luteolin (-9.3 kcal/mol) showed the highest affinity, interacting strongly with key residues within the HER2 ATP-binding pocket. ADMET analysis indicated that kaempferol, quercetin, and luteolin possessed favorable oral bioavailability and safety characteristics. These findings suggest that A. indica contains promising HER2-targeting phytochemicals that warrant further investigation through in vitro and in vivo studies.
In Silico Study of Bioactive Compounds from Acalypha indica L. Interacting with the COX-2 Receptor as Potential Anti-Inflammatory Candidates Savitri, Lisa; Ihsan, Kharisul; Krissanjaya, Rochmad; Kasimo, Elfred Rinaldo
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.31-37

Abstract

Acalypha indica L. is a medicinal herb traditionally used across Asia for treating inflammation-related conditions. Although several studies report anti-inflammatory activity in its extracts, little is known about the molecular interaction of its individual phytochemicals with cyclooxygenase-2 (COX-2)—a validated therapeutic target for inflammatory diseases. This study fills this gap by performing a comprehensive in silico analysis of 20 major bioactive compounds of A. indica using molecular docking, binding interaction profiling, and ADMET predictions. Docking against the COX-2 receptor (PDB: 3LN1) using AutoDock Vina revealed that rutin (-10.4 kcal/mol), kaempferol-3-O-rutinoside (-10.1 kcal/mol), quercetin (-9.6 kcal/mol), and luteolin (-9.3 kcal/mol) demonstrated strong predicted affinity and stable interactions with key residues Arg120, Tyr355, and Tyr385, comparable to celecoxib (-10.8 kcal/mol). ADMET profiling showed that aglycone flavonoids possessed more favorable drug-likeness properties than glycosides. These results suggest that A. indica contains multiple promising lead compounds for future COX-2 inhibition studies and highlight the molecular mechanisms supporting its ethnomedicinal use as an anti-inflammatory agent.
Pengenalan Metode Imunodiagnostik Dasar untuk Pencegahan Penyakit Menular di Peternakan Savitri, Lisa; Kasimo, Elfred Rinaldo; Krissanjaya, Rochmad; Prasetyawan, Fendy; Saristiana, Yuneka; Amanda, Cornelia; Mebung, Konradus Klala
Abdimas Galuh Vol 8, No 1 (2026): Maret 2026
Publisher : Universitas Galuh

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25157/ag.v8i1.23354

Abstract

Penyakit menular pada ternak masih menjadi salah satu kendala utama dalam usaha peternakan rakyat karena dapat menurunkan produktivitas dan menyebabkan kerugian ekonomi. Salah satu upaya pencegahan yang dapat dilakukan adalah deteksi dini penyakit melalui metode imunodiagnostik dasar. Namun, tingkat pemahaman peternak mengenai prinsip kerja dan pemanfaatan metode imunodiagnostik masih relatif rendah. Kegiatan pengabdian kepada masyarakat ini bertujuan untuk meningkatkan pengetahuan dan pemahaman peternak mengenai pengenalan penyakit menular serta prinsip dasar metode imunodiagnostik sebagai langkah awal pencegahan penyakit di peternakan. Kegiatan dilaksanakan melalui penyuluhan interaktif, diskusi dua arah, serta demonstrasi penggunaan alat imunodiagnostik dasar berupa kit uji cepat. Sasaran kegiatan adalah peternak ternak rakyat di wilayah sasaran pengabdian. Evaluasi dilakukan melalui pengukuran tingkat pengetahuan peserta sebelum dan sesudah kegiatan serta observasi partisipasi aktif selama kegiatan berlangsung. Hasil kegiatan menunjukkan adanya peningkatan pemahaman peternak terkait jenis penyakit menular, prinsip reaksi antigen–antibodi, dan manfaat penggunaan metode imunodiagnostik dalam deteksi dini penyakit. Selain itu, peternak menunjukkan antusiasme dan partisipasi aktif selama proses penyuluhan dan demonstrasi. Kegiatan ini memberikan kontribusi positif dalam meningkatkan kesadaran peternak terhadap pentingnya pencegahan penyakit menular melalui pendekatan diagnostik sederhana yang aplikatif di tingkat peternakan rakyat.
Co-Authors Akbar Nur Kholis Alves, Silvina Sandra X. Amanda, Cornelia Anjarwati, Aprilia Antoro, Ester Lianawati Apriana, Dita Datin An Nisa Sukmawati Datin An Nisa Sukmawati Dhony Hermanto Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo, Elfred Rinaldo Ester Lianawati Antoro Fendy Prasetyawan Fitri, Devi Nor Freitas, Maria Do Carmo Da Costa Hilmi, Mochamad Hanif Hilmi, Mochammad Hanif Ida Septika Wulansari Ihsan, Kharisul Juwita, Syntia Tanu Kholis, Akbar Nur Laili, Nur Fahma Lisa Savitri Loviana, Novi Masyhuri, Aga Adi Mebung, Konradus Klala Mosse1, Yosep Muttaqin, Saiful Neni Probosiwi Nurul Ismillayli Rasyadan Taufiq Probojati Retnowati, Ana savitri, Lisa Syntia Tanu Juwita Syntia Tanu Juwita Tiyas, Eka Wahyuning Tsamrotul Ilmi Wulansari, Ida Septika Yanti, Novirma Yosep Mosse1 Yuneka Saristiana